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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.98 |
| ▸ | MEN1 | O00255 | 1/20 | 0.98 |
| ▸ | USP2 | O75604 | 1/20 | 0.98 |
| ▸ | POLB | P06746 | 1/20 | 0.98 |
| ▸ | BLM | P54132 | 1/20 | 0.98 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.98 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.98 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.98 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | AVPR2 | P30518 | 3/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.48 |
| ▸ | APLNR | P35414 | 2/20 | 0.47 |
| ▸ | FPR2 | P25090 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29355331 | 0.99 | MEN1 (1.00) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL16593265 | 0.99 | MEN1 (1.00) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL838400 | 0.92 | MEN1 (0.87) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL31011004 | 0.92 | MEN1 (0.87) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL29352150 | 0.92 | MEN1 (0.87) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL29356182 | 0.92 | MEN1 (0.87) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL18483 | 0.92 | MEN1 (0.87) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL31011003 | 0.92 | MEN1 (0.87) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL27449932 | 0.90 | MEN1 (0.83) | MEN1USP2POLBPPARGBLM | |
| SCHEMBL19962197 | 0.89 | MEN1 (0.82) | MEN1USP2POLBPPARGBLM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6379400-B1 | DYEING FIBERS, SOLVENT OF WATER OR ALCOHOL AND NITROANILINE DYE | WELLA AKTIENGESELLSCHAFT (DE) | 2002-04-30 | — | — | US | disclosed |