Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9783849 | 0.82 | ALDH1A1 (0.37) | ALDH1A1FKBP5TAAR1HRH3CYP19A1 | |
| SCHEMBL9783623 | 0.82 | CYP3A4 (0.36) | TAAR1HRH3CYP19A1CYP3A4IDO1 | |
| Imidazole SCHEMBL9783124 | 0.75 | ALDH1A1 (0.38) | ALDH1A1FKBP5 | |
| SCHEMBL9783883 | 0.71 | CYP11B1 (0.35) | CYP19A1IDO1 | |
| Biphenyl SCHEMBL27655588 | 0.70 | ALDH1A1 (0.70) | ALDH1A1FKBP5TAAR1HRH3CYP19A1 | |
| SCHEMBL9784052 | 0.69 | CYP11B1 (0.45) | CYP19A1CYP3A4 | |
| SCHEMBL9783263 | 0.69 | DRD2 (0.33) | — | |
| SCHEMBL47208 | 0.68 | — | — | |
| SCHEMBL9783641 | 0.68 | TAAR1 (0.46) | TAAR1HRH3CYP19A1 | |
| SCHEMBL9783749 | 0.67 | ALDH1A1 (0.31) | ALDH1A1 |
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 |