Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9783449 | 0.82 | HRH3 (0.43) | ALDH1A1FKBP5HRH3ADRA2AADRA2B | |
| SCHEMBL9783273 | 0.82 | CYP3A4 (0.36) | HRH4HTR3AHRH3IDO1CYP3A4 | |
| Imidazole SCHEMBL9783199 | 0.74 | ALDH1A1 (0.39) | ALDH1A1FKBP5 | |
| Biphenyl SCHEMBL27655588 | 0.70 | ALDH1A1 (0.70) | ALDH1A1FKBP5HRH4HRH3IDO1 | |
| SCHEMBL47208 | 0.68 | — | — | |
| SCHEMBL28297063 | 0.66 | ALDH1A1 (0.61) | ALDH1A1FKBP5HRH3IDO1CYP3A4 | |
| SCHEMBL9783872 | 0.66 | ALDH1A1 (0.46) | ALDH1A1FKBP5HRH3IDO1CYP3A4 | |
| SCHEMBL27531068 | 0.66 | — | — | |
| SCHEMBL28244057 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL27259157 | 0.66 | — | — |
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 |