Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | TTK | P33981 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7435148 | 0.78 | PDGFRB (0.49) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL9565336 | 0.76 | CYP2A6 (0.41) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL7430163 | 0.75 | CYP11B1 (0.47) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL9565313 | 0.74 | PDGFRB (0.46) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL9565345 | 0.73 | MAPK1 (0.40) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL19323015 | 0.71 | CYP2A6 (0.46) | PDGFRBCYP2A6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL7434051 | 0.70 | PDGFRB (0.52) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL1133233 | 0.69 | CYP2A6 (0.47) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL455756 | 0.69 | MAPK1 (0.42) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL7495544 | 0.69 | PDGFRB (0.48) | PDGFRBAURKATTKAURKBINCENP |
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-0543245-A1 | Renin inhibiting amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-05-26 | — | — | EP | disclosed |