Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 10/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | CPA1 | P15085 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9783836 | 0.78 | CYP3A4 (0.39) | CYP17A1CYP3A4HRH4CYP19A1IDO1 | |
| SCHEMBL9783115 | 0.77 | TAAR1 (0.47) | HRH4CYP19A1TAAR1 | |
| SCHEMBL9783769 | 0.72 | PCSK9 (0.40) | CYP17A1CYP3A4HRH4CYP19A1IDO1 | |
| SCHEMBL9783273 | 0.71 | CYP3A4 (0.36) | CYP17A1CYP3A4HRH4IDO1TAAR1 | |
| SCHEMBL9783623 | 0.71 | CYP3A4 (0.36) | CYP17A1CYP3A4HRH4CYP19A1IDO1 | |
| SCHEMBL9783847 | 0.70 | CYP3A4 (0.42) | CYP17A1CYP3A4HRH4CYP19A1IDO1 | |
| SCHEMBL2626828 | 0.66 | CYP3A4 (0.50) | CYP17A1CYP3A4HRH4CYP19A1IDO1 | |
| SCHEMBL9783289 | 0.65 | MGLL (0.38) | CYP17A1CYP3A4IDO1 | |
| SCHEMBL9784051 | 0.65 | — | — | |
| SCHEMBL9783783 | 0.65 | CYP19A1 (0.48) | CYP17A1CYP3A4CYP19A1 |
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 |