Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.44 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.43 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.43 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.42 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL5769377 | 1.00 | MEN1 (0.44) | MEN1KMT2ATP53SMN1; SMN2ADORA3 | |
| SCHEMBL27459501 | 0.99 | MEN1 (0.45) | MEN1KMT2ATP53SMN1; SMN2ADORA3 | |
| SCHEMBL6499707 | 0.81 | GAA (0.52) | KMT2ASMN1; SMN2GAAPOLBALDH1A1 | |
| SCHEMBL31580824 | 0.81 | MAPK1 (0.51) | TP53SMN1; SMN2GAAALDH1A1RAB9A | |
| SCHEMBL5763717 | 0.77 | NPC1 (0.49) | TP53SMN1; SMN2ADORA3ADORA1GAA | |
| SCHEMBL5766643 | 0.77 | POLB (0.56) | MEN1KMT2ASMN1; SMN2ADORA3ADORA1 | |
| SCHEMBL5146626 | 0.77 | GSK3B (0.49) | MEN1KMT2ATP53SMN1; SMN2GAA | |
| SCHEMBL5767044 | 0.75 | NPC1 (0.50) | TP53SMN1; SMN2ADORA3ALDH1A1RAB9A | |
| SCHEMBL6500635 | 0.74 | EP300 (0.57) | SMN1; SMN2GAAPOLBALDH1A1RAB9A | |
| SCHEMBL5767729 | 0.74 | GSK3B (0.52) | MEN1KMT2ATP53SMN1; SMN2ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7148232-B2 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2006-12-12 | — | — | US | disclosed |
| EP-1380587-B1 | Oxazolo, thiazolo and selenazolo [4,5-c]naphthyridine-4-amines and analogs thereof | 3M INNOVATIVE PROPERTIES CO (US) | 2006-03-15 | — | — | EP | disclosed |
| US-20050026943-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | 3M INNOVATIVE PROPERTIES COMPANY | 2005-02-03 | — | — | US | disclosed |
| US-6809203-B2 | IMMUNOMODULATORS; INDUCING CYTOKINE BIOSYNTHESIS INCLUDING INTERFERON-ALPHA AND/OR TUMOR NECROSIS FACTOR-ALPHA | 3M INNOVATIVE PROPERTIES COMPANY | 2004-10-26 | — | — | US | disclosed |
| US-20040122041-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | 3M INNOVATIVE PROPERTIES COMPANY | 2004-06-24 | — | — | US | disclosed |
| US-6703402-B2 | IMMUNOMODULATORS; INDUCERS OF CYTOKINE BIOSYNTHESIS INCLUDING INTERFERON AND/OR TUMOR NECROSIS FACTOR; ANTITUMOR AGENTS, VIRICIDES | 3M INNOVATIVE PROPERTIES COMPANY | 2004-03-09 | — | — | US | disclosed |
| EP-1380587-A2 | Oxazolo, thiazolo and selenazolo (4,5-c)-quinoline-4-amines and analogs thereof | 3M Innovative Properties Company (US) | 2004-01-14 | — | — | EP | disclosed |
| US-6677334-B2 | IMMUNOMODULATORS, INDUCE CYTOKINE BIOSYNTHESIS, AND ANTINEOPLASTIC AGENTS | 3M INNOVATIVE PROPERTIES COMPANY | 2004-01-13 | — | — | US | disclosed |
| US-20030195224-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4- amines and analogs thereof | 3M INNOVATIVE PROPERTIES COMPANY | 2003-10-16 | — | — | US | disclosed |
| US-6627638-B2 | Viricides, anticarcinogneic agents | 3M INNOVATIVE PROPERTIES COMPANY | 2003-09-30 | — | — | US | disclosed |
| EP-1100802-B1 | OXAZOLO, THIAZOLO AND SELENAZOLO [4,5-c]-QUINOLINE-4-AMINES AND ANALOGS THEREOF | 3M INNOVATIVE PROPERTIES CO (US) | 2003-09-24 | — | — | EP | disclosed |
| US-20030065006-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | 3M INNOVATIVE PROPERTIES COMPANY | 2003-04-03 | — | — | US | disclosed |
| US-20030064968-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | 3M INNOVATIVE PROPERTIES COMPANY | 2003-04-03 | — | — | US | disclosed |
| US-20030045545-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | 3M INNOVATIVE PROPERTIES COMPANY | 2003-03-06 | — | — | US | disclosed |
| US-6440992-B1 | ARE IMMUNOMODULATORS AND INDUCE CYTOKINE BIOSYNTHESIS, INCLUDING INTERFERON AND/OR TUMOR BIOSYNTHESIS, NECROSIS FACTOR, AND INHIBIT T-HELPER-TYPE 2 IMMUNE RESPONSE; USEFUL FOR THERAPY OF VIRAL AND NEOPLASTIC DISEASES | 3M INNOVATIVE PROPERTIES COMPANY | 2002-08-27 | — | — | US | disclosed |
| US-20020072528-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | 3M INNOVATIVE PROPERTIES COMPANY | 2002-06-13 | — | — | US | disclosed |
| US-6323200-B1 | THE COMPOUNDS ARE IMMUNOMODULATORS AND INDUCE CYTOKINE BIOSYNTHESIS, INCLUDING INTERFERON AND/OR TUMOR BIOSYNTHESIS, NECROSIS FACTOR, AND INHIBIT THE T-HELPER-TYPE 2 IMMUNE RESPONSE. | 3M INNOVATIVE PROPERTIES COMPANY | 2001-11-27 | — | — | US | disclosed |
| EP-1100802-A1 | OXAZOLO, THIAZOLO AND SELENAZOLO [4,5-c]-QUINOLIN-4-AMINES AND ANALOGS THEREOF | 3M Innovative Properties Company (US) | 2001-05-23 | — | — | EP | disclosed |
| US-6110929-A | IMMUNOMODULATORS WHICH INDUCE CYTOKINE BIOSYNTHESIS, INCLUDING INTERFERON AND/OR TUMOR BIOSYNTHESIS, NECROSIS FACTOR AND INHIBIT T-HELPER-TYPE 2 IMMUNE RESPONSE; FOR TREATMENT OF VIRAL AND NEOPLASTIC DISEASES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2000-08-29 | — | — | US | disclosed |
| WO-2000006577-A1 | OXAZOLO, THIAZOLO AND SELENAZOLO [4,5-c]-QUINOLIN-4-AMINES AND ANALOGS THEREOF | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2000-02-10 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030064968-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | IFNG, THPO, IL2 | MEN1 3773/4885ADORA3 3993/4885ADORA1 4534/4885 |
| US-20020072528-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | IFNG, THPO, IL2 | MEN1 3773/4885ADORA3 3993/4885ADORA1 4534/4885 |
| US-20030065006-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | IFNG, THPO, IL2 | MEN1 3773/4885ADORA3 3993/4885ADORA1 4534/4885 |
| US-20030195224-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4- amines and analogs thereof | IFNG, THPO, IL2 | MEN1 3773/4885ADORA3 3993/4885ADORA1 4534/4885 |
| US-20050026943-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | IFNG, IL2, IRF3 | MEN1 2840/4885ADORA3 3341/4885ADORA1 4207/4885 |
| US-20040122041-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | IFNG, THPO, IL2 | MEN1 3773/4885ADORA3 3993/4885ADORA1 4534/4885 |
| US-20030045545-A1 | Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof | IFNG, THPO, IL2 | MEN1 3773/4885ADORA3 3993/4885ADORA1 4534/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.