Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenol. 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 | 2/20 | 0.48 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.48 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.48 |
| ▸ | ESR2 known ✓ | Q92731 | 9/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 11/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | BAX | Q07812 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL27305009 | 0.98 | CA12 (0.50) | CA12CA1CA2CA9GLA | |
| Phenol SCHEMBL28157129 | 0.98 | CA12 (0.50) | CA12CA1CA2CA9GLA | |
| Phenol SCHEMBL28149093 | 0.98 | CA12 (0.50) | CA12CA1CA2CA9GLA | |
| Phenol SCHEMBL28189875 | 0.98 | CA12 (0.50) | CA12CA1CA2CA9GLA | |
| Phenol SCHEMBL27622719 | 0.92 | CA12 (0.44) | CA12CA1CA2CA9GLA | |
| Biphenyl SCHEMBL28248213 | 0.92 | MMP3 (0.48) | CA12CA1CA2CA9GLA | |
| Phenol SCHEMBL28189876 | 0.90 | CA12 (0.42) | CA12CA1CA2CA9GLA | |
| Phenol SCHEMBL28113275 | 0.88 | CA12 (0.41) | CA12CA1CA2CA9GLA | |
| Phenol SCHEMBL28153391 | 0.88 | CA12 (0.41) | CA12CA1CA2CA9GLA | |
| Phenol SCHEMBL27799084 | 0.88 | CA12 (0.41) | CA12CA1CA2CA9GLA |
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 |
|---|---|---|---|---|---|---|---|
| CN-107540816-A | Preparation and application of copolymer epoxy resin of dicyclopentadiene-phenol and 2, 6-dimethylphenol | 南亚塑胶工业股份有限公司 | 2018-01-05 | — | — | CN | claimed |