Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Imidazole SCHEMBL9783730 | 0.84 | ALDH1A1 (0.36) | CYP19A1ALDH1A1FKBP5 | |
| Imidazole SCHEMBL9783016 | 0.81 | CYP19A1 (0.44) | CYP19A1ALDH1A1FKBP5GAA | |
| SCHEMBL9783750 | 0.79 | CYP19A1 (0.54) | CYP19A1 | |
| SCHEMBL9783112 | 0.75 | CYP19A1 (0.34) | CYP19A1 | |
| SCHEMBL9783734 | 0.74 | TAAR1 (0.46) | CYP19A1ALDH1A1GAA | |
| SCHEMBL9808649 | 0.72 | CYP11B1 (0.44) | CYP19A1 | |
| SCHEMBL9808549 | 0.71 | CYP11B1 (0.36) | CYP19A1ALDH1A1 | |
| O-Xylene SCHEMBL26667700 | 0.71 | ALDH1A1 (0.59) | CYP19A1ALDH1A1FKBP5 | |
| SCHEMBL9843564 | 0.71 | HPGDS (0.31) | CYP19A1 | |
| Toluene SCHEMBL7499513 | 0.66 | ALDH1A1 (0.56) | CYP19A1ALDH1A1FKBP5 |
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-5051514-A | Complexing boranes and imidazoles | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-09-24 | — | — | US | disclosed |
| EP-0432987-A2 | Fungicidal organoborane imidazole compounds and intermediates therefor | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-06-19 | — | — | EP | disclosed |
| US-4983589-A | Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-01-08 | — | — | US | disclosed |