Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 7/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3765203 | 0.90 | MMP13 (0.57) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8071850 | 0.84 | MMP13 (0.52) | MMP13ROCK2ROCK1AGTR1XDH | |
| SCHEMBL8072658 | 0.81 | MMP13 (0.53) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8066880 | 0.80 | XDH (0.56) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8071844 | 0.80 | ROCK1 (0.49) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8055185 | 0.78 | MMP13 (0.54) | MMP13XDHADORA2AADORA1 | |
| SCHEMBL3688685 | 0.77 | MMP13 (0.63) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8070937 | 0.77 | MMP13 (0.57) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3686913 | 0.77 | MMP13 (0.58) | MMP13ROCK2ROCK1AGTR1 | |
| SCHEMBL3690556 | 0.77 | MMP13 (0.44) | MMP13AGTR1XDHADORA2AADORA1 |
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 |