Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | CD38 | P28907 | 1/20 | 0.36 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9783428 | 0.81 | CYP3A4 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL9783218 | 0.79 | CYP19A1 (0.47) | CYP19A1CYP11B1CYP11B2CGASCYP1A2 | |
| SCHEMBL9783331 | 0.77 | ADRA1D (0.36) | CYP11B1CYP11B2 | |
| SCHEMBL9808520 | 0.76 | TBXAS1 (0.48) | TDP1LMNAHSD17B10HPGDALDH1A1 | |
| SCHEMBL9783138 | 0.74 | CYP11B1 (0.37) | CYP19A1CYP11B1CYP11B2KDM4EHSD17B10 | |
| SCHEMBL870689 | 0.72 | CYP3A4 (0.63) | CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4 | |
| SCHEMBL31149024 | 0.71 | CYP19A1 (0.67) | CYP19A1CYP11B1CYP11B2CGASCYP1A2 | |
| SCHEMBL1886266 | 0.71 | CYP19A1 (0.67) | CYP19A1CYP11B1CYP11B2CGASCYP1A2 | |
| SCHEMBL9783822 | 0.69 | QPCT (0.39) | — | |
| SCHEMBL9783548 | 0.68 | CYP17A1 (0.33) | CYP11B2CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |