Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9783245 | 0.90 | HRH3 (0.71) | HRH3TAAR1CYP2D6ADRA2AADRA1A | |
| SCHEMBL1034848 | 0.76 | HRH3 (1.00) | HRH3TAAR1CYP2D6HRH4CYP3A4 | |
| SCHEMBL9783194 | 0.74 | HRH3 (0.57) | HRH3TAAR1CYP2D6CYP19A1HRH4 | |
| SCHEMBL9783345 | 0.71 | HRH3 (0.58) | HRH3HRH4 | |
| SCHEMBL2626857 | 0.69 | HRH3 (1.00) | HRH3TAAR1CYP2D6HRH4 | |
| SCHEMBL9783377 | 0.68 | HRH3 (0.45) | HRH3TAAR1CYP19A1 | |
| SCHEMBL9783386 | 0.67 | ADRA2A (0.43) | HRH3TAAR1CYP2D6CYP19A1ADRA2A | |
| SCHEMBL9783334 | 0.67 | IDO1 (0.61) | CYP2D6CYP19A1CYP3A4SMN1; SMN2 | |
| SCHEMBL9783660 | 0.67 | IDO1 (0.53) | HRH3CYP2D6CYP19A1CYP3A4SMN1; SMN2 | |
| SCHEMBL9783106 | 0.67 | TAAR1 (0.41) | TAAR1CYP2D6ADRA2AADRA1ACYP3A4 |
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 |