Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL9783302 | 0.84 | CYP17A1 (0.33) | PCSK9CYP3A4CYP17A1TAAR1IDO1 | |
| SCHEMBL9783723 | 0.81 | HRH3 (0.49) | PCSK9HRH3HRH4TAAR1CYP19A1 | |
| SCHEMBL9783563 | 0.79 | TAAR1 (0.33) | CYP3A4CYP17A1TAAR1CYP19A1IDO1 | |
| SCHEMBL9783623 | 0.77 | CYP3A4 (0.36) | CYP3A4CYP17A1HRH3HRH4TAAR1 | |
| SCHEMBL6663731 | 0.75 | PCSK9 (0.63) | PCSK9 | |
| SCHEMBL9783836 | 0.73 | CYP3A4 (0.39) | CYP3A4CYP17A1HRH3HRH4TAAR1 | |
| SCHEMBL9783013 | 0.72 | CYP17A1 (0.41) | CYP3A4CYP17A1HRH4TAAR1CYP19A1 | |
| Imidazole SCHEMBL9783326 | 0.71 | PCSK9 (0.44) | PCSK9 | |
| SCHEMBL5710442 | 0.70 | PCSK9 (0.55) | PCSK9HRH3CYP1A2CYP2D6 | |
| SCHEMBL9783273 | 0.69 | CYP3A4 (0.36) | CYP3A4CYP17A1HRH3HRH4TAAR1 |
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 |