Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.56 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.52 |
| ▸ | CDC7 | O00311 | 1/20 | 0.52 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | CDK9 | P50750 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 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 | |
|---|---|---|---|---|
| SCHEMBL2086526 | 0.83 | ACHE (0.60) | ACHECCNT1CCNA2CDK2CDK9 | |
| SCHEMBL10274926 | 0.81 | ACHE (0.57) | ACHEMAPK8CDC7CCNT1CCNA2 | |
| SCHEMBL9900073 | 0.77 | KDM1A (0.47) | ACHEMAPK8CDC7CCNT1CCNA2 | |
| SCHEMBL15834735 | 0.75 | ACHE (0.49) | ACHEMAPK8CDC7CCNT1CCNA2 | |
| SCHEMBL15698538 | 0.75 | CCNE1 (0.61) | ACHEMAPK8CDC7CDK2MAPT | |
| SCHEMBL25630336 | 0.75 | MAPK8 (0.52) | ACHEMAPK8CDC7CDK2 | |
| SCHEMBL30635502 | 0.74 | GBA1 (0.55) | ACHEMAPK8CDC7CCNT1CCNA2 | |
| SCHEMBL28059059 | 0.74 | MAPK8 (0.47) | ACHEMAPK8CDC7CCNT1CCNA2 | |
| SCHEMBL27941842 | 0.74 | GBA1 (0.55) | ACHEMAPK8CDC7CCNT1CCNA2 | |
| SCHEMBL4947574 | 0.74 | KDM1A (0.48) | ACHEMAPK8CDC7CCNT1CCNA2 |
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-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |