Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | QPCT | Q16769 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.36 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | AGER | Q15109 | 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 | |
|---|---|---|---|---|
| SCHEMBL9783597 | 0.90 | ALDH1A1 (0.37) | CYP1A2CYP3A4MAPTTBXAS1ALDH1A1 | |
| SCHEMBL9783249 | 0.84 | TBXAS1 (0.35) | CYP19A1TBXAS1 | |
| SCHEMBL9783161 | 0.82 | CYP17A1 (0.32) | CYP17A1CYP19A1QPCTCYP1A2POLB | |
| SCHEMBL9784084 | 0.80 | IDO1 (0.31) | CYP19A1 | |
| SCHEMBL9783022 | 0.79 | PTGS2 (0.32) | CYP17A1CYP19A1CYP3A4CYP26A1ALDH1A1 | |
| SCHEMBL9784088 | 0.77 | MEN1 (0.32) | POLB | |
| SCHEMBL9783113 | 0.76 | CYP26A1 (0.41) | CYP19A1QPCTCYP1A2POLBCYP3A4 | |
| SCHEMBL9783257 | 0.75 | MEN1 (0.34) | POLB | |
| SCHEMBL9783696 | 0.74 | CYP26A1 (0.42) | CYP19A1POLBCYP26A1ALDH1A1 | |
| SCHEMBL9783040 | 0.73 | — | — |
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 |