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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.40 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 5/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL195396 | 0.98 | — | — | |
| SCHEMBL8992513 | 0.95 | ATM (0.68) | ATMTSHRHPGDHCAR2ALDH1A1 | |
| Methyl Alcohol SCHEMBL5605876 | 0.95 | ATM (0.68) | ATMTSHRHPGDHCAR2ALDH1A1 | |
| Alcohol SCHEMBL27686238 | 0.93 | ATM (0.65) | ATMTSHRHPGDHCAR2ALDH1A1 | |
| SCHEMBL525121 | 0.91 | HCAR2 (0.62) | ATMTSHRHPGDHCAR2ALDH1A1 | |
| Butyl Alcohol SCHEMBL27705263 | 0.90 | ATM (0.61) | ATMTSHRHPGDHCAR2ALDH1A1 | |
| SCHEMBL6680945 | 0.89 | HCAR2 (0.63) | ATMTSHRHPGDHCAR2ALDH1A1 | |
| SCHEMBL6679650 | 0.89 | HCAR2 (0.63) | ATMTSHRHPGDHCAR2ALDH1A1 | |
| SCHEMBL6675004 | 0.89 | HCAR2 (0.63) | ATMTSHRHPGDHCAR2ALDH1A1 | |
| SCHEMBL6676413 | 0.89 | HCAR2 (0.63) | ATMTSHRHPGDHCAR2ALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0976738-B1 | Process for the preparation of propylene ureas | DAINIPPON INK & CHEMICALS (JP) | 2002-12-04 | — | — | EP | disclosed |
| US-6348594-B2 | HARDENING OF POLYMERS | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-02-19 | — | — | US | disclosed |
| US-20020004599-A1 | PROPYLENE UREAS AND PROCESS FOR THEIR PREPARATION. | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-01-10 | — | — | US | disclosed |
| EP-0863131-B1 | Acrylic monomers, polymers thereof and crosslinking compositions | DAINIPPON INK & CHEMICALS (JP) | 2000-05-17 | — | — | EP | disclosed |
| EP-0976738-A2 | Propylene ureas and the process for their preparation | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2000-02-02 | — | — | EP | disclosed |
| EP-0863131-A1 | Acrylic monomers, polymers thereof and crosslinking compositions | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1998-09-09 | — | — | EP | disclosed |
| EP-0160618-B1 | HYDANTOIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) | 1991-08-14 | — | — | EP | disclosed |
| US-4647574-A | Hypoglycemic hydantoin derivatives | NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) | 1987-03-03 | — | — | US | disclosed |
| EP-0160618-A1 | Hydantoin derivatives and pharmaceutical compositions containing them | NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) | 1985-11-06 | — | — | EP | 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 (1 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-20020004599-A1 | PROPYLENE UREAS AND PROCESS FOR THEIR PREPARATION. | UQCRB, URB2, ADH1C | ESR1 2594/4885ACHE 3807/4885ATM 1554/4885 |
“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.