Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 16/20 | 0.62 |
| ▸ | MMP3 | P08254 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | PRKACA | P17612 | 2/20 | 0.52 |
| ▸ | PRKX | P51817 | 2/20 | 0.52 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.52 |
| ▸ | GRK5 | P34947 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3688685 | 0.87 | MMP13 (0.63) | MMP13MMP3MAPTPRKACAPRKX | |
| SCHEMBL8070937 | 0.85 | MMP13 (0.57) | MMP13MAPTPRKACAPRKXPRKCQ | |
| SCHEMBL8068331 | 0.82 | MMP13 (0.60) | MMP13ROCK1ROCK2 | |
| SCHEMBL8068866 | 0.81 | MMP13 (0.57) | MMP13 | |
| SCHEMBL21756739 | 0.81 | MMP13 (0.62) | MMP13MAPTPRKACAPRKXPRKCQ | |
| SCHEMBL8072341 | 0.80 | MMP13 (0.59) | MMP13MMP3PRKACAPRKXPRKCQ | |
| SCHEMBL8066880 | 0.80 | XDH (0.56) | MMP13MMP3ROCK1ROCK2CYP3A4 | |
| SCHEMBL8072658 | 0.79 | MMP13 (0.53) | MMP13MMP3ROCK1ROCK2CYP3A4 | |
| SCHEMBL8057293 | 0.79 | MMP13 (0.75) | MMP13MMP3 | |
| SCHEMBL8073455 | 0.78 | MMP13 (0.69) | MMP13MMP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101815710-A | Pyrimidine and pyridine derivatives, their pharmaceutical use and compositions | PFIZER | 2010-08-25 | — | — | CN | disclosed |
| WO-2009016498-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC. (US) | 2009-02-05 | — | — | WO | disclosed |