Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFATC1 | O95644 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 1/20 | 0.58 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.58 |
| ▸ | MAPK13 | O15264 | 17/20 | 0.58 |
| ▸ | MAPK12 | P53778 | 17/20 | 0.58 |
| ▸ | MAPK11 | Q15759 | 17/20 | 0.58 |
| ▸ | MAPK14 | Q16539 | 17/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL25178802 | 0.76 | NFATC1 (0.45) | NFATC1GSK3BDYRK1AMAPK13MAPK12 | |
| Sb-210313 SCHEMBL4918397 | 0.73 | MAPK13 (1.00) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL8860270 | 0.73 | MAPK13 (1.00) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL12545505 | 0.73 | CYP11B1 (0.49) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4915601 | 0.71 | MAPK13 (1.00) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL20485805 | 0.71 | FYN (0.54) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL7091476 | 0.69 | MAPK13 (0.80) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL8860588 | 0.69 | MAPK13 (1.00) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4906821 | 0.69 | MAPK13 (1.00) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL7076732 | 0.69 | CYP11B1 (0.43) | GSK3BMAPK13MAPK12MAPK11MAPK14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906099-A4 | A METHOD OF TREATING CANCER | MERCK & CO INC (US) | 2001-02-07 | — | — | EP | claimed |
| EP-0906099-A1 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 1999-04-07 | — | — | EP | claimed |
| WO-1997036587-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1997-10-09 | — | — | WO | claimed |