Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
| ▸ | TUBB | P07437 | 1/20 | 0.31 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.31 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.31 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.31 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.31 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.31 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.31 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.31 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.31 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.31 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.31 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.31 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.31 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL9783472 | 0.73 | CYP17A1 (0.33) | HRH4CYP17A1CYP3A4LTA4H | |
| SCHEMBL7541659 | 0.67 | TRPA1 (0.61) | CYP3A4 | |
| SCHEMBL7541661 | 0.67 | TRPA1 (0.61) | CYP3A4 | |
| SCHEMBL4582901 | 0.64 | MAOB (0.54) | CYP3A4 | |
| SCHEMBL9783836 | 0.61 | CYP3A4 (0.39) | HRH4HRH3CYP17A1CYP3A4 | |
| Styrene SCHEMBL4582900 | 0.58 | ALDH1A1 (0.54) | CYP3A4 | |
| SCHEMBL20390031 | 0.58 | CA2 (0.50) | — | |
| SCHEMBL9783623 | 0.58 | CYP3A4 (0.36) | HRH4HRH3CYP17A1CYP3A4 | |
| SCHEMBL9998805 | 0.58 | KMT2A (0.47) | CYP3A4 | |
| SCHEMBL9783013 | 0.58 | CYP17A1 (0.41) | HRH4CYP17A1CYP3A4 |
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 |