Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9783648 | 0.83 | TAAR1 (0.43) | CYP19A1TAAR1HRH3ADRA1D | |
| Imidazole SCHEMBL9783996 | 0.75 | ALDH1A1 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9783426 | 0.71 | TAAR1 (0.45) | CYP19A1TAAR1HRH3ADRA1DPKM | |
| SCHEMBL233717 | 0.70 | — | — | |
| SCHEMBL9783750 | 0.68 | CYP19A1 (0.54) | ADRA2CCYP19A1TAAR1HRH3ITGB2 | |
| SCHEMBL9783562 | 0.67 | ADRA2C (0.43) | ADRA2CCYP19A1TAAR1HRH3ADRA1D | |
| SCHEMBL21401163 | 0.64 | AOC1 (0.42) | ADRA2CCYP19A1HRH3ADRA1DCYP1A2 | |
| SCHEMBL9783744 | 0.64 | ADRA2C (0.43) | ADRA2CCYP19A1TAAR1HRH3ADRA1D | |
| SCHEMBL9783409 | 0.63 | TAAR1 (0.45) | CYP19A1TAAR1HRH3ADRA1D | |
| SCHEMBL8733487 | 0.62 | TSHR (0.45) | — |
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 |