Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.69 |
| ▸ | CA12 | O43570 | 2/20 | 0.69 |
| ▸ | CA1 | P00915 | 2/20 | 0.69 |
| ▸ | CA2 | P00918 | 2/20 | 0.69 |
| ▸ | CA9 | Q16790 | 2/20 | 0.69 |
| ▸ | GLA | P06280 | 1/20 | 0.69 |
| ▸ | CA3 | P07451 | 1/20 | 0.69 |
| ▸ | CA4 | P22748 | 1/20 | 0.69 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
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 SCHEMBL28096881 | 1.00 | TDP1 (0.69) | TDP1CA12CA1CA2CA9 | |
| Phenol SCHEMBL28187094 | 1.00 | TDP1 (0.69) | TDP1CA12CA1CA2CA9 | |
| Phenol SCHEMBL4576632 | 1.00 | TDP1 (0.69) | TDP1CA12CA1CA2CA9 | |
| Phenol SCHEMBL138896 | 1.00 | TDP1 (0.69) | TDP1CA12CA1CA2CA9 | |
| Phenol SCHEMBL28121724 | 1.00 | TDP1 (0.69) | TDP1CA12CA1CA2CA9 | |
| Phenol SCHEMBL944251 | 0.97 | TDP1 (0.65) | TDP1CA12CA1CA2CA9 | |
| Phenol SCHEMBL3672103 | 0.97 | TDP1 (0.65) | TDP1CA12CA1CA2CA9 | |
| Phenol SCHEMBL30870098 | 0.97 | TDP1 (0.65) | TDP1CA12CA1CA2CA9 | |
| Phenol SCHEMBL1115430 | 0.97 | TDP1 (0.65) | TDP1CA12CA1CA2CA9 | |
| Phenol SCHEMBL11241559 | 0.97 | TDP1 (0.65) | TDP1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| JP-9010597-A | — | — | None | — | — | JP | disclosed |
| JP-H0910597-A | ALKYLATION CATALYST FOR AROMATIC COMPOUND, PREPARATION THEREOF, AND PREPARATION OF TERTIARY ALKYL PHENOL | DAINIPPON INK & CHEM INC | 1997-01-14 | — | — | JP | disclosed |