Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | TTK | P33981 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7434051 | 0.79 | PDGFRB (0.52) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL7430163 | 0.78 | CYP11B1 (0.47) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL9565370 | 0.78 | PDGFRB (0.46) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL9565317 | 0.77 | SMN1; SMN2 (0.49) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL9565313 | 0.77 | PDGFRB (0.46) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL7495544 | 0.77 | PDGFRB (0.48) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL7440831 | 0.74 | CYP2A6 (0.44) | CYP2A6MAPK1CYP3A4CYP2E1CYP2C9 | |
| SCHEMBL9963331 | 0.74 | CYP2A6 (0.46) | PDGFRBAURKATTKAURKBINCENP | |
| SCHEMBL1435835 | 0.71 | CYP2A6 (0.54) | PDGFRBCYP2A6MAPK1CYP3A4ALDH1A1 | |
| SCHEMBL7430157 | 0.71 | MAPK1 (0.42) | CYP2A6MAPK1CYP3A4CYP2E1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5278161-A | Racemic mixtures | HOFFMANN-LA ROCHE INC. (US) | 1994-01-11 | — | — | US | disclosed |
| EP-0464572-A2 | Aminoacid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-01-08 | — | — | EP | disclosed |