Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1
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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
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 SCHEMBL16099103 | 1.00 | TP53 (0.55) | TP53CA12CA1CA2GLA | |
| Phenol SCHEMBL28264839 | 0.95 | TP53 (0.50) | TP53CA12CA1CA2GLA | |
| Hydroquinone SCHEMBL27611946 | 0.90 | TP53 (0.61) | TP53CA12CA1CA2CA3 | |
| Phenol SCHEMBL27800009 | 0.87 | CA12 (0.58) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27649020 | 0.86 | TDP1 (0.50) | CA12CA1CA2GLACA3 | |
| Resorcinol SCHEMBL8347008 | 0.86 | CYP3A4 (0.55) | TP53CA12CA1CA2CA9 | |
| Catechol SCHEMBL17999115 | 0.85 | TP53 (0.55) | TP53CA12CA1CA2CA3 | |
| Methylmalonic Acid SCHEMBL27707757 | 0.85 | CA12 (0.55) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27341057 | 0.84 | CA12 (0.61) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28965886 | 0.84 | CA2 (0.48) | 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 |
|---|---|---|---|---|---|---|---|
| CN-106636293-A | Chiral resolution method for hydroxy esters | 江南大学 | 2017-05-10 | — | — | CN | disclosed |