Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 9/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 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 | |
|---|---|---|---|---|
| SCHEMBL20614414 | 0.77 | ALDH1A1 (0.38) | AURKATTKAURKBINCENPBRD4 | |
| SCHEMBL13074741 | 0.74 | BRD4 (0.41) | BRD4ALDH1A1KDM4EHPGDGLA | |
| SCHEMBL19869652 | 0.74 | BRD4 (0.42) | AURKATTKAURKBINCENPBRD4 | |
| SCHEMBL5366019 | 0.72 | — | — | |
| SCHEMBL20105210 | 0.71 | BRD4 (0.35) | BRD4ALDH1A1KDM4EHPGDGLA | |
| SCHEMBL12157416 | 0.71 | BRD4 (0.35) | BRD4ALDH1A1KDM4EHPGDGLA | |
| SCHEMBL18073640 | 0.71 | BRD4 (0.35) | NOS3NOS1NOS2BRD4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL14912306 | 0.70 | — | — | |
| SCHEMBL25659106 | 0.70 | ADORA2A (0.38) | AURKATTKAURKBINCENPBRD4 | |
| SCHEMBL16489426 | 0.69 | BRD4 (0.44) | BRD4ALDH1A1KDM4EHPGDGLA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3140304-B1 | BENZIMIDAZOLE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2018-05-02 | — | — | EP | disclosed |