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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.37 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.36 |
| ▸ | DDB1 known ✓ | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL276288 | 0.98 | RECQL (0.48) | CYP1A2RECQLKMOSLC22A12POLB | |
| Hydrochloric Acid SCHEMBL27882428 | 0.95 | RECQL (0.47) | CYP1A2RECQLKMOSLC22A12POLB | |
| SCHEMBL27973181 | 0.86 | ELANE (0.42) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL7350869 | 0.74 | CYP1A2 (0.35) | CYP1A2KMOCTNNB1CDH1TCF4 | |
| SCHEMBL2010731 | 0.71 | RECQL (0.47) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL787026 | 0.71 | RECQL (0.47) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL61456 | 0.71 | RECQL (0.47) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL329140 | 0.71 | RECQL (0.47) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL47226 | 0.71 | CYP1A2 (0.47) | CYP1A2RECQLKMOELANEKDM4E | |
| SCHEMBL13647386 | 0.71 | RECQL (0.47) | CYP1A2RECQLKMOSLC22A12ELANE |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4337674-A2 | MODULATORS OF SORTILIN ACTIVITY | Insusense ApS (DK) | 2024-03-20 | — | — | EP | disclosed |
| EP-3704098-A1 | MODULATORS OF THE INTEGRATED STRESS PATHWAY | Calico Life Sciences LLC (US) | 2020-09-09 | — | — | EP | disclosed |
| EP-2379540-B1 | DIPEPTOID PRODRUGS AND THE USE THEREOF | BAYER IP GMBH (DE) | 2014-10-22 | — | — | EP | disclosed |
| US-8841455-B2 | Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as cFMS inhibitors | ARRAY BIOPHARMA INC. (US) | 2014-09-23 | — | — | US | disclosed |
| US-20120258952-A1 | Substituted N-(1H-Indazol-4-yl)Imidazo[1,2-a]Pyridine-3-Carboxamide Compounds as cFMS Inhibitors | ARRAY BIOPHARMA INC. (US) | 2012-10-11 | — | — | US | disclosed |
| US-20120094992-A1 | POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-19 | — | — | US | disclosed |
| EP-1076563-B1 | DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF | CYTOVIA INC (US) | 2005-05-11 | — | — | EP | disclosed |
| EP-1486490-A1 | AZOLE COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2004-12-15 | — | — | EP | disclosed |
| EP-1261606-A1 | SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION | Bayer Aktiengesellschaft (DE) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001047919-A1 | SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION | BAYER AKTIENGESELLSCHAFT (DE) | 2001-07-05 | — | — | 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 (2 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-20120094992-A1 | POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | PARP1, PARP2, PARP3 | ADRA2A 4023/4885ADRA2B 3820/4885ADRA2C 4156/4885 |
| US-20120258952-A1 | Substituted N-(1H-Indazol-4-yl)Imidazo[1,2-a]Pyridine-3-Carboxamide Compounds as cFMS Inhibitors | AFF1, FLI1, F3 | ADRA2A 1190/4885ADRA2B 1418/4885ADRA2C 1284/4885 |
“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.