Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SERPINA3 | P01011 | 1/20 | 0.46 |
| ▸ | MGMT | P16455 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.38 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2606931 | 0.88 | SERPINA3 (0.50) | SERPINA3MGMTHDAC1ADORA2AADORA1 | |
| SCHEMBL13746593 | 0.87 | SERPINA3 (0.45) | SERPINA3MGMTHDAC1ADORA2AADORA1 | |
| SCHEMBL2607029 | 0.85 | SERPINA3 (0.47) | SERPINA3MGMTHDAC1ADORA2AADORA1 | |
| SCHEMBL13746666 | 0.84 | CYP2C19 (0.40) | SERPINA3MGMTHDAC1CYP2C19HPRT1 | |
| SCHEMBL2606986 | 0.82 | SERPINA3 (0.51) | SERPINA3MGMTHDAC1ADORA2AADORA1 | |
| SCHEMBL2606933 | 0.82 | SERPINA3 (0.49) | SERPINA3MGMTHDAC1ADORA2AADORA1 | |
| SCHEMBL2606973 | 0.81 | SERPINA3 (0.51) | SERPINA3MGMTHDAC1ADORA2AADORA1 | |
| SCHEMBL13746845 | 0.79 | CYP2C19 (0.39) | SERPINA3MGMTHDAC1CYP2C19HPRT1 | |
| SCHEMBL13747298 | 0.78 | SERPINA3 (0.41) | SERPINA3MGMTHDAC1CYP2C19HPRT1 | |
| SCHEMBL2606916 | 0.77 | SERPINA3 (0.47) | SERPINA3MGMTHDAC1ADORA2AADORA1 |
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-2009105513-A2 | NOVEL COMPOUNDS AND METHODS FOR THERAPY | GILEAD SCIENCES, INC. (US) | 2009-08-27 | — | — | WO | disclosed |