Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.56 |
| ▸ | MMP13 | P45452 | 16/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.52 |
| ▸ | MMP3 | P08254 | 2/20 | 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 | 0.90 | MMP13 (0.63) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8072658 | 0.90 | MMP13 (0.53) | XDHMMP13ROCK2CYP3A4CYP2D6 | |
| SCHEMBL8057403 | 0.80 | MMP13 (0.62) | MMP13ROCK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8058261 | 0.80 | MMP13 (0.51) | XDHMMP13ROCK2CYP3A4CYP2D6 | |
| SCHEMBL4182437 | 0.79 | MMP13 (0.61) | XDHMMP13 | |
| SCHEMBL8056592 | 0.79 | MMP13 (0.59) | MMP13 | |
| SCHEMBL3694242 | 0.77 | MMP13 (0.62) | MMP13ROCK2ROCK1 | |
| SCHEMBL8070170 | 0.77 | MMP13 (0.61) | MMP13 | |
| SCHEMBL8070443 | 0.77 | MMP13 (0.85) | MMP13MMP3 | |
| SCHEMBL8059690 | 0.77 | MMP13 (0.85) | 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 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 |