Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.38 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.38 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.38 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.39 |
| ▸ | LPL | P06858 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | MLNR | O43193 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5802656 | 0.96 | PCSK9 (0.53) | PCSK9DNM1MEN1KMT2AMAPK1 | |
| SCHEMBL23367835 | 0.96 | PCSK9 (0.53) | PCSK9DNM1MEN1KMT2AMAPK1 | |
| SCHEMBL6661937 | 0.96 | PCSK9 (0.53) | PCSK9DNM1MEN1KMT2AMAPK1 | |
| SCHEMBL5710442 | 0.94 | PCSK9 (0.55) | PCSK9DNM1MEN1KMT2AMAPK1 | |
| SCHEMBL6663731 | 0.87 | PCSK9 (0.63) | PCSK9DNM1MEN1KMT2AMAPK1 | |
| SCHEMBL14085646 | 0.77 | PCSK9 (0.52) | PCSK9KMT2AMAPK1SMN1; SMN2TP53 | |
| SCHEMBL29022390 | 0.77 | PCSK9 (0.55) | PCSK9DNM1MEN1KMT2AMAPK1 | |
| Tetrabuthylammonium SCHEMBL5468630 | 0.77 | LPL (0.45) | PCSK9DNM1MEN1KMT2AMAPK1 | |
| SCHEMBL9189726 | 0.76 | PCSK9 (0.50) | PCSK9DNM1MEN1KMT2AMAPK1 | |
| SCHEMBL6128348 | 0.76 | PSMD14 (0.42) | LIPGLPL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086996-B1 | Resin for use in an antifouling coating and antifouling coating | NIPPON PAINT CO LTD (JP) | 2004-07-28 | — | — | EP | disclosed |
| US-6462102-B1 | POLYMER FROM UNSATURATED MONOMERS HAVING SIDE CHAIN GROUPS CONTAINING TRISUBSTITUTED BORANE AMINES AND/OR 2-PYRIDINE-THIOL METAL AMINES; LOW TOXICITY; SUSTAINED RELEASE | NIPPON PAINT CO., LTD. (JP) | 2002-10-08 | — | — | US | disclosed |
| EP-1086996-A1 | Resin for use in an antifouling coating and antifouling coating | Nippon Paint Co., Ltd. (JP) | 2001-03-28 | — | — | EP | disclosed |