Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 6/20 | 0.48 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.69 |
| ▸ | CA1 | P00915 | 3/20 | 0.69 |
| ▸ | CA2 | P00918 | 3/20 | 0.69 |
| ▸ | CA9 | Q16790 | 3/20 | 0.69 |
| ▸ | CA3 | P07451 | 2/20 | 0.69 |
| ▸ | CA4 | P22748 | 2/20 | 0.69 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.69 |
| ▸ | GLA | P06280 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
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 SCHEMBL9331064 | 1.00 | CA12 (0.69) | CA12CA1CA2CA9CA3 | |
| Phenol SCHEMBL10433598 | 1.00 | CA12 (0.69) | CA12CA1CA2CA9CA3 | |
| Phenol SCHEMBL29392457 | 1.00 | CA12 (0.69) | CA12CA1CA2CA9CA3 | |
| Phenol SCHEMBL478255 | 1.00 | CA12 (0.69) | CA12CA1CA2CA9CA3 | |
| Phenol SCHEMBL10886697 | 1.00 | CA12 (0.69) | CA12CA1CA2CA9CA3 | |
| Phenol SCHEMBL30505287 | 0.97 | CA12 (0.65) | CA12CA1CA2CA9CA3 | |
| Phenol SCHEMBL11609346 | 0.97 | CA12 (0.65) | CA12CA1CA2CA9CA3 | |
| Phenol SCHEMBL20798197 | 0.97 | CA12 (0.65) | CA12CA1CA2CA9CA3 | |
| Phenol SCHEMBL28202803 | 0.94 | CA12 (0.61) | CA12CA1CA2CA9CA3 | |
| Phenol SCHEMBL726343 | 0.94 | CA12 (0.69) | CA12CA1CA2CA9CA3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4374181-A | POLYESTERURETHANES | ASHLAND OIL, INC. (US) | 1983-02-15 | — | — | US | claimed |
| CN-117362163-A | Synthesis method of 2,2 '-4, 4' -tetrahydroxybenzophenone | 湖北理工学院 | 2024-01-09 | — | — | CN | disclosed |
| CN-107614277-B | Thermosensitive recording body with the middle layer comprising hollow particle | 赛登化学株式会社 | 2019-11-05 | — | — | CN | disclosed |
| CN-108136805-A | Thermosensitive recording body | 日本制纸株式会社 | 2018-06-08 | — | — | CN | disclosed |
| CN-102584541-B | A kind of 1-alkyl-3-methylimidazole acidic ionic liquid prepares the method for Bisphenol F | XIANGTAN UNIVERSITY (CN) | 2015-11-25 | — | — | CN | disclosed |