Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3717320 | 0.87 | CCNE1 (0.47) | CYP2C19CYP3A4HSD17B10CDK1CCNB2 | |
| SCHEMBL2904694 | 0.85 | CDK1 (0.53) | ADORA3ADORA1CDK1MEN1KMT2A | |
| SCHEMBL3716187 | 0.81 | CDK2 (0.43) | CDK1NTRK1PLK4PAK4CCNB2 | |
| SCHEMBL3714903 | 0.81 | CDK2 (0.53) | ADORA3ADORA1CDK1CCNB2CCNB1 | |
| SCHEMBL25022481 | 0.80 | CDK2 (0.40) | CDK1 | |
| SCHEMBL3723174 | 0.77 | CDK1 (0.45) | CDK1MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL3725148 | 0.76 | CDK2 (0.57) | CDK1NTRK1CCNB1 | |
| SCHEMBL3719064 | 0.74 | CYP3A4 (0.43) | CYP2C19CYP3A4HSD17B10CDK1PLK4 | |
| SCHEMBL3724809 | 0.74 | CDK2 (0.40) | CDK1KMT2ANTRK1CCNB2CCNB1 | |
| SCHEMBL20542182 | 0.73 | HTT (0.46) | MEN1KMT2AL3MBTL1ALDH1A1MAPT |
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-2010139288-A1 | 5,7-DISUBSTITUTED 3-ISOPROPYLPYRAZOLO[4,3-D]PYRIMIDINES FOR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS | C3 BIO GMBH (DE) | 2010-12-09 | — | — | WO | disclosed |