Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.37 |
| ▸ | ORAI2 | Q96SN7 | 2/20 | 0.37 |
| ▸ | ORAI3 | Q9BRQ5 | 2/20 | 0.37 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
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 SCHEMBL134289 | 1.00 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL27610505 | 1.00 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL28716066 | 0.96 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL8398315 | 0.96 | — | — | |
| Phenol SCHEMBL10637832 | 0.96 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL4184679 | 0.96 | TDP1 (0.44) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL6049045 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL12477429 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL673833 | 0.92 | TSHR (0.44) | TDP1CYP3A4ALDH1A1CA1CA2 | |
| Phenol SCHEMBL10923298 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5244588-A | Lubricant oil additive detergents | IDEMISTU KOSAN CO., LTD. (JP) | 1993-09-14 | — | — | US | disclosed |