Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | GLA | P06280 | 1/20 | 0.65 |
| ▸ | CA3 | P07451 | 1/20 | 0.65 |
| ▸ | CA4 | P22748 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.65 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 12/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 SCHEMBL247463 | 0.97 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL919188 | 0.97 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28324303 | 0.97 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28206744 | 0.97 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27854922 | 0.94 | CA12 (0.65) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28348043 | 0.94 | CA12 (0.65) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL10934675 | 0.94 | CA12 (0.65) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28207259 | 0.94 | CA12 (0.65) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL10697808 | 0.94 | CA12 (0.65) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28550524 | 0.89 | TDP1 (0.58) | CA12CA1CA2GLACA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991014377-A1 | PROCESSING OF MIXTURES CONTAINING LIPIDS AND PROTEINS AND PRODUCTS SO PRODUCED | PORTWALL PTY LIMITED (AU) | 1991-10-03 | — | — | WO | disclosed |