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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.42 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | KDM4A | O75164 | 2/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HIF1AN | Q9NWT6 | 1/20 | 0.42 |
| ▸ | KDM6B | O15054 | 1/20 | 0.42 |
| ▸ | KDM6A | O15550 | 1/20 | 0.42 |
| ▸ | TET3 | O43151 | 1/20 | 0.42 |
| ▸ | KDM4B | O94953 | 1/20 | 0.42 |
| ▸ | KDM5C | P41229 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2748162 | 0.96 | NR4A1 (0.50) | NR4A1NR4A2NR4A3ALBKDM4E | |
| SCHEMBL5740332 | 0.95 | NR4A1 (0.48) | NR4A1NR4A2NR4A3ALBKDM4E | |
| SCHEMBL3389447 | 0.78 | NR4A1 (0.53) | NR4A1NR4A2NR4A3ALBKDM4E | |
| SCHEMBL30388521 | 0.78 | NR4A1 (0.53) | NR4A1NR4A2NR4A3ALBKDM4E | |
| SCHEMBL2748381 | 0.77 | LMNA (0.51) | NR4A2KDM4EALDH1A1CA12CA1 | |
| SCHEMBL10012443 | 0.77 | NR4A1 (0.67) | NR4A1NR4A2NR4A3ALBKDM4E | |
| SCHEMBL11857852 | 0.77 | NR4A1 (0.67) | NR4A1NR4A2NR4A3ALBKDM4E | |
| SCHEMBL27985 | 0.77 | NR4A1 (0.73) | NR4A1NR4A2NR4A3ALBKDM4E | |
| SCHEMBL29406795 | 0.77 | NR4A1 (0.73) | NR4A1NR4A2NR4A3ALBKDM4E | |
| SCHEMBL3239130 | 0.77 | CA12 (0.54) | NR4A1NR4A2NR4A3ALBKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1713484-A2 | COMPOUNDS AND METHODS OF USE | AMGEN INC. (US) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005070891-A2 | COMPOUNDS AND METHODS OF USE | AMGEN INC (US) | 2005-08-04 | — | — | WO | disclosed |