Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | 4/20 | 0.85 |
| ▸ | CA2 | P00918 | 4/20 | 0.85 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.85 |
| ▸ | CA9 | Q16790 | 3/20 | 0.85 |
| ▸ | CA3 | P07451 | 3/20 | 0.85 |
| ▸ | CA4 | P22748 | 3/20 | 0.85 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.85 |
| ▸ | CA1 | P00915 | 2/20 | 0.85 |
| ▸ | GLA | P06280 | 1/20 | 0.85 |
| ▸ | MMP3 | P08254 | 1/20 | 0.56 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CA5A | P35218 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
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 SCHEMBL30603168 | 0.96 | CA12 (0.92) | CA12CA2CA14CA9CA3 | |
| Phenol SCHEMBL27855305 | 0.96 | CA12 (0.92) | CA12CA2CA14CA9CA3 | |
| Phenol SCHEMBL6029809 | 0.96 | — | — | |
| Phenol SCHEMBL31492940 | 0.96 | CA12 (0.92) | CA12CA2CA14CA9CA3 | |
| Phenol SCHEMBL11300061 | 0.92 | — | — | |
| Phenol SCHEMBL9750999 | 0.92 | — | — | |
| Phenol SCHEMBL28865873 | 0.92 | — | — | |
| Phenol SCHEMBL1932358 | 0.92 | CA12 (0.85) | CA12CA2CA14CA9CA3 | |
| Phenol SCHEMBL28578312 | 0.92 | — | — | |
| Phenol SCHEMBL14954055 | 0.92 | CA12 (0.85) | CA12CA2CA14CA9CA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4447654-A | COMPLEXING WITH METAL HALIDE SALTS | KOPPERS COMPANY, INC. (US) | 1984-05-08 | — | — | US | claimed |
| US-4429168-A | PREFERENTIAL COMPLEXING WITH A METAL HALIDE SALT | KOPPERS COMPANY, INC. (US) | 1984-01-31 | — | — | US | claimed |
| US-4423253-A | Process for separating t-butylated phenols | KOPPERS COMPANY, INC. (US) | 1983-12-27 | — | — | US | claimed |