Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 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 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.50 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.50 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.50 |
| ▸ | FNTA | P49354 | 1/20 | 0.45 |
| ▸ | FNTB | P49356 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.42 |
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 SCHEMBL10554522 | 0.97 | CA2 (0.58) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL15017 | 0.93 | CA2 (0.52) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL11051939 | 0.89 | CA2 (0.48) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL11051535 | 0.85 | CA2 (0.55) | CA2TDP1CA12CA1GLA | |
| Resorcinol SCHEMBL27870709 | 0.83 | CA12 (0.57) | CA2TDP1CA12CA1CA9 | |
| Catechol SCHEMBL27688308 | 0.82 | AKR1B1 (0.56) | CA2TDP1CA12CA1CA3 | |
| Phenol SCHEMBL27959002 | 0.81 | CA2 (0.50) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL27575469 | 0.81 | CA12 (0.73) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL11385419 | 0.79 | CA2 (0.61) | CA2TDP1CA12CA1GLA | |
| Succinic Acid SCHEMBL6388337 | 0.79 | CA2 (0.61) | CA2TDP1CA12CA1GLA |
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-110467537-A | A kind of preparation process of D-HPG | HENAN NEWLAND PHARM CO LTD | 2019-11-19 | — | — | CN | disclosed |