Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 8/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | MMP13 | P45452 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 2/20 | 0.43 |
| ▸ | PRKX | P51817 | 2/20 | 0.43 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.43 |
| ▸ | GRK5 | P34947 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8055078 | 0.81 | MMP13 (0.47) | ROCK1ROCK2MMP13ALDH1A1 | |
| SCHEMBL8058261 | 0.80 | MMP13 (0.51) | ROCK1ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8055231 | 0.76 | MMP13 (0.58) | ROCK1ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3685174 | 0.73 | MMP13 (0.60) | ROCK1ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8067349 | 0.72 | MMP13 (0.55) | ROCK1ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24674846 | 0.71 | ROCK2 (0.47) | ROCK1ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13837856 | 0.70 | MMP13 (0.53) | ROCK1ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8070937 | 0.70 | MMP13 (0.57) | ROCK1ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1240006 | 0.70 | ALDH1A1 (0.48) | ROCK1ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31567851 | 0.70 | TSHR (0.62) | MMP13ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009016498-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC. (US) | 2009-02-05 | — | — | WO | disclosed |