Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | ELANE | P08246 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL11309988 | 0.90 | CYP3A4 (0.57) | CYP3A4 | |
| Benzoic Acid SCHEMBL28199591 | 0.86 | CYP3A4 (0.52) | CYP3A4CES2CES1 | |
| Ethyl Benzoate SCHEMBL28181131 | 0.84 | LMNA (0.57) | CYP3A4 | |
| SCHEMBL4611182 | 0.83 | ALDH1A1 (0.50) | CES2CES1ALDH1A1 | |
| Phenol SCHEMBL28293414 | 0.83 | CYP3A4 (0.61) | CYP3A4 | |
| Benzophenone SCHEMBL9307364 | 0.82 | ALDH1A1 (0.54) | ELANEALDH1A1 | |
| Benzophenone SCHEMBL29265024 | 0.82 | ELANE (0.54) | ELANECES2CES1ALDH1A1 | |
| Benzene SCHEMBL5436988 | 0.82 | CYP3A4 (0.85) | CYP3A4 | |
| Benzoic Acid SCHEMBL28929850 | 0.81 | CYP3A4 (0.46) | CYP3A4 | |
| Toluene SCHEMBL11667825 | 0.81 | CYP3A4 (0.63) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5331103-A | Reaction with hydrogen peroxide, hydroquinone from phenol | RHONE-POULENC CHIMIE (FR) | 1994-07-19 | — | — | US | disclosed |