Known targets — ChEMBL curated mechanism
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 | 3/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.61 |
| ▸ | CA3 | P07451 | 1/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
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 SCHEMBL1833685 | 1.00 | TDP1 (0.61) | TDP1CA2CA12CA1GLA | |
| Phenol SCHEMBL1335365 | 0.93 | TDP1 (0.52) | TDP1CA2CA12CA1GLA | |
| Phenol SCHEMBL11658010 | 0.88 | TDP1 (0.69) | TDP1CA2CA12CA1GLA | |
| Phenol SCHEMBL8710612 | 0.88 | TDP1 (0.69) | TDP1CA2CA12CA1GLA | |
| Phenol SCHEMBL11594523 | 0.87 | TDP1 (0.52) | TDP1CA2CA12CA1GLA | |
| Phenol SCHEMBL28151254 | 0.86 | TDP1 (0.65) | TDP1CA2CA12CA1GLA | |
| Phenol SCHEMBL28165624 | 0.86 | TDP1 (0.65) | TDP1CA2CA12CA1GLA | |
| Hydroquinone SCHEMBL11759332 | 0.85 | ALDH1A1 (0.57) | TDP1CA2CA12CA1CA3 | |
| Phenol SCHEMBL4107850 | 0.85 | CA2 (0.73) | TDP1CA2CA12CA1GLA | |
| Phenol SCHEMBL1414513 | 0.85 | CA2 (0.73) | TDP1CA2CA12CA1GLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1918418-B1 | Method of coating a substrate | TATA STEEL UK LTD (GB) | 2011-01-19 | — | — | EP | disclosed |
| EP-1918418-A1 | Method of coating a substrate | Corus UK Limited (GB) | 2008-05-07 | — | — | EP | disclosed |