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 | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 4/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.36 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 2/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 2/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL29843261 | 0.96 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL6902664 | 0.96 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL27899405 | 0.96 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL22191 | 0.96 | — | — | |
| Phenol SCHEMBL29087168 | 0.92 | — | — | |
| Phenol SCHEMBL29636940 | 0.92 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL28584059 | 0.92 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL11553267 | 0.92 | — | — | |
| Phenol SCHEMBL2076600 | 0.92 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1CA4CA2 | |
| Phenol SCHEMBL5575718 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050115901-A1 | Preparation of waste water containing sodium chloride for use in chlor-alkali electrolysis | BAYER MATERIALSCIENCE AG (DE) | 2005-06-02 | — | — | US | disclosed |
| US-4743561-A | MEDICAL DIAGNOSIS | ABBOTT LABORATORIES (US) | 1988-05-10 | — | — | US | disclosed |