Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4474468 | 0.88 | KDR (0.46) | CYP2C9NAMPTEPHX2CHRM4MAPK8 | |
| SCHEMBL4465323 | 0.79 | ROCK2 (0.50) | CYP2C9NAMPTMAPK1ROCK2ROCK1 | |
| SCHEMBL9102011 | 0.76 | KDR (0.49) | KDRCCNCCDK8 | |
| SCHEMBL9105444 | 0.74 | KDR (0.45) | EPHX2MAPK1MAPK9KDRCCNC | |
| SCHEMBL9103507 | 0.73 | KMT2A (0.43) | CYP2C9MAPK1KDRMAPT | |
| SCHEMBL9100020 | 0.71 | RAF1 (0.55) | MAPK1MAPK9KDRMAPT | |
| SCHEMBL9102135 | 0.71 | RAF1 (0.55) | EPHX2MAPK1MAPK9KDRCCNC | |
| SCHEMBL5724635 | 0.69 | KDR (0.53) | EPHX2MAPK9KDRCDK8 | |
| SCHEMBL13876857 | 0.69 | EPHX2 (0.54) | CYP2C9NAMPTEPHX2ROCK2ROCK1 | |
| SCHEMBL13603542 | 0.68 | MAPK14 (0.58) | NAMPTEPHX2MAPK1MAPK9KDR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1685125-B1 | Pyrrole derivatives useful for the treatment of proliferative diseases | MERCK PATENT GMBH (DE) | 2012-06-06 | — | — | EP | disclosed |