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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 SCHEMBL28170490 | 0.93 | TDP1 (0.50) | TDP1CA2GLACA12CA1 | |
| Phenol SCHEMBL28550524 | 0.91 | TDP1 (0.58) | TDP1CA2GLACA12CA1 | |
| Phenol SCHEMBL28246814 | 0.89 | TDP1 (0.50) | TDP1CA2GLACA12CA1 | |
| Phenol SCHEMBL27699920 | 0.89 | CA2 (0.61) | TDP1CA2GLACA12CA1 | |
| Phenol SCHEMBL160625 | 0.89 | CA2 (0.61) | TDP1CA2GLACA12CA1 | |
| Phenol SCHEMBL28184478 | 0.89 | CA2 (0.61) | TDP1CA2GLACA12CA1 | |
| Phenol SCHEMBL1661166 | 0.89 | CA2 (0.61) | TDP1CA2GLACA12CA1 | |
| Phenol SCHEMBL27834583 | 0.89 | CA2 (0.61) | TDP1CA2GLACA12CA1 | |
| Phenol SCHEMBL28138375 | 0.89 | CA2 (0.61) | TDP1CA2GLACA12CA1 | |
| Phenol SCHEMBL28113269 | 0.86 | CA2 (0.58) | TDP1CA2GLACA12CA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108373546-A | A kind of preparation method of the PVC board of active charcoal adsorption function | 吴志勇 | 2018-08-07 | — | — | CN | claimed |
| CN-109968757-A | Ablation-resistant light heat-proof heat-insulation integrated composite material and preparation method thereof | 中国人民解放军国防科技大学 | 2019-07-05 | — | — | CN | disclosed |
| CN-108373546-A | A kind of preparation method of the PVC board of active charcoal adsorption function | 吴志勇 | 2018-08-07 | — | — | CN | disclosed |
| CN-104192822-B | A kind of method of polyvinylidene chloride scrap concrete recycling | 巨化集团技术中心 | 2016-08-24 | — | — | CN | disclosed |