Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | ITGAL | P20701 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9783967 | 0.86 | CYP19A1 (0.50) | CYP19A1TAAR1HRH3KCNH2 | |
| Imidazole SCHEMBL9783761 | 0.79 | CYP19A1 (0.38) | CYP19A1 | |
| SCHEMBL9783112 | 0.74 | CYP19A1 (0.34) | CYP19A1 | |
| SCHEMBL9843564 | 0.70 | HPGDS (0.31) | CYP19A1 | |
| SCHEMBL9783060 | 0.69 | ADRA2A (0.40) | CYP19A1ADRA2CHRH3ADRA2AADRA2B | |
| SCHEMBL9783734 | 0.69 | TAAR1 (0.46) | CYP19A1ADRA2CTAAR1ADRA2AADRA2B | |
| SCHEMBL9808649 | 0.68 | CYP11B1 (0.44) | CYP19A1 | |
| SCHEMBL9783740 | 0.68 | CYP19A1 (0.68) | CYP19A1HRH3KCNH2 | |
| SCHEMBL9783569 | 0.68 | ADRA2C (0.43) | CYP19A1ADRA2CTAAR1HRH3ITGB2 | |
| SCHEMBL9783744 | 0.68 | ADRA2C (0.43) | CYP19A1ADRA2CTAAR1HRH3ADRA1D |
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 |