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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA known ✓ | P10827 | 1/20 | 0.41 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.41 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.40 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.40 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.38 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | CTSG | P08311 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | BID | P55957 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | BAK1 | Q16611 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1457335 | 0.86 | FUT7 (0.52) | THRATHRBPTGS2ALOX5PPARA | |
| SCHEMBL2322031 | 0.86 | FUT7 (0.52) | THRATHRBPTGS2ALOX5PPARA | |
| Potassium Ion SCHEMBL29019107 | 0.83 | THRA (0.51) | THRATHRBPTGS2ALOX5PPARA | |
| Ether SCHEMBL1094885 | 0.81 | FUT7 (0.48) | THRATHRBPTGS2ALOX5PPARA | |
| Ether SCHEMBL6663308 | 0.81 | FUT7 (0.48) | THRATHRBPTGS2ALOX5PPARA | |
| Ether SCHEMBL3979282 | 0.81 | FUT7 (0.48) | THRATHRBPTGS2ALOX5PPARA | |
| Ether SCHEMBL3235371 | 0.79 | THRA (0.48) | THRATHRBPTGS2ALOX5PPARA | |
| SCHEMBL11859133 | 0.79 | FUT7 (0.41) | THRATHRBPTGS2ALOX5PPARA | |
| Phenol SCHEMBL10936982 | 0.78 | FUT7 (0.51) | PTGS2ESR1FUT7 | |
| Ether SCHEMBL8746880 | 0.78 | THRA (0.47) | THRATHRBPTGS2ALOX5PPARA |
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-4502540-A | Tertiary oil recovery | MOBIL OIL CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |
| US-3971439-A | Designing micellar displacement systems to minimize adsorption | MARATHON OIL COMPANY (US) | 1976-07-27 | — | — | US | disclosed |