Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AGER | Q15109 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL9783540 | 0.81 | CYP2D6 (0.51) | CYP2D6TDP1BRD4CYP19A1CYP11B2 | |
| SCHEMBL273629 | 0.76 | — | — | |
| SCHEMBL26111243 | 0.74 | ALDH1A1 (0.36) | CYP2D6CYP26A1CYP19A1ALDH1A1 | |
| Iodide SCHEMBL5531813 | 0.74 | ALDH1A1 (0.36) | CYP2D6CYP26A1CYP19A1ALDH1A1 | |
| SCHEMBL9784042 | 0.71 | CYP26A1 (0.33) | CYP26A1BRD4ALDH1A1MAPTAGER | |
| SCHEMBL1474217 | 0.70 | ALDH1A1 (0.43) | TDP1CYP19A1CYP11B2ALDH1A1MAPT | |
| Efetozole SCHEMBL21698044 | 0.68 | BRD4 (0.51) | CYP2D6CYP26A1OPRD1OPRK1TDP1 | |
| Efetozole SCHEMBL2109012 | 0.68 | BRD4 (0.51) | CYP2D6CYP26A1OPRD1OPRK1TDP1 | |
| SCHEMBL9444404 | 0.68 | BRD4 (0.47) | TDP1BRD4ALDH1A1MAPTKDM4E | |
| Efetozole SCHEMBL10996922 | 0.67 | BRD4 (0.50) | CYP2D6CYP26A1OPRD1OPRK1TDP1 |
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 |