Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRCP | P42785 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 4/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 5/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | RBP4 | P02753 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL14839980 | 0.79 | PRCP (0.39) | PRCPKDM1ASSTR4CTSK | |
| Trifluoroacetic Acid SCHEMBL14839956 | 0.72 | SSTR4 (0.37) | KDM1ASSTR4RBP4 | |
| Trifluoroacetic Acid SCHEMBL14829349 | 0.72 | KDM1A (0.44) | KDM1ACTSK | |
| Trifluoroacetic Acid SCHEMBL14839831 | 0.71 | KDM1A (0.47) | KDM1ACTSK | |
| Trifluoroacetic Acid SCHEMBL14830108 | 0.70 | SLC6A2 (0.41) | KDM1AKCNH2 | |
| Trifluoroacetic Acid SCHEMBL14829510 | 0.69 | PRKACA (0.44) | KDM1ACTSK | |
| Trifluoroacetic Acid SCHEMBL14829358 | 0.68 | PRKACA (0.43) | KDM1ACTSK | |
| Trifluoroacetic Acid SCHEMBL14837280 | 0.67 | KDM1A (0.47) | KDM1ACTSK | |
| Trifluoroacetic Acid SCHEMBL14830111 | 0.66 | CTSK (0.38) | KDM1ACTSK | |
| SCHEMBL29092115 | 0.66 | CTSK (0.36) | CTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2751088-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2014-07-09 | — | — | EP | disclosed |
| WO-2013049719-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-04 | — | — | WO | disclosed |