Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.34 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 4/20 | 0.39 |
| ▸ | CNR2 | P34972 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PKLR | P30613 | 1/20 | 0.38 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.37 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL7089336 | 0.97 | ESR1 (0.42) | ALDH1A1ESR1ESR2CYP3A4CNR1 | |
| Water SCHEMBL9852465 | 0.96 | ESR1 (0.41) | ALDH1A1ESR1ESR2CYP3A4CNR1 | |
| SCHEMBL11758522 | 0.87 | ALDH1A1 (0.38) | ALDH1A1ESR1ESR2CYP3A4CNR1 | |
| SCHEMBL1129729 | 0.86 | ESR1 (0.46) | ALDH1A1ESR1ESR2CYP3A4CNR1 | |
| SCHEMBL7084776 | 0.85 | ESR1 (0.44) | ALDH1A1ESR1ESR2CYP3A4CNR1 | |
| Water SCHEMBL9852464 | 0.85 | ESR1 (0.44) | ALDH1A1ESR1ESR2CYP3A4CNR1 | |
| Zinc Ion SCHEMBL11771848 | 0.84 | ALDH1A1 (0.38) | ALDH1A1ESR1ESR2CYP3A4CNR1 | |
| Zinc Ion SCHEMBL7089200 | 0.84 | SHBG (0.36) | ALDH1A1ESR1ESR2CYP3A4KDM4E | |
| Zinc Ion SCHEMBL7087886 | 0.84 | ESR1 (0.43) | ALDH1A1ESR1ESR2CYP3A4CNR1 | |
| Water SCHEMBL9852463 | 0.84 | ESR1 (0.43) | ALDH1A1ESR1ESR2CYP3A4CNR1 |
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-5107006-A | Photostabilizers developers | SANKO KAIHATSU KAGAKU KENKYUSHO (JP) | 1992-04-21 | — | — | US | disclosed |