Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 5/20 | 0.34 |
| ▸ | CDC7 | O00311 | 3/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 3/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | RXRG | P48443 | 1/20 | 0.30 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL952882 | 0.85 | CDC7 (0.39) | ATRCDC7DBF4ADORA2AADORA1 | |
| SCHEMBL3794474 | 0.85 | ATR (0.33) | ATRCDC7DBF4CCNE1CDK2 | |
| SCHEMBL953631 | 0.83 | MAPK14 (0.40) | — | |
| SCHEMBL952063 | 0.83 | EGFR (0.44) | — | |
| SCHEMBL954308 | 0.76 | ADORA2A (0.36) | ADORA2AADORA1ABL1RXRARXRB | |
| SCHEMBL954205 | 0.75 | PTGS1 (0.36) | ATRADORA2AADORA1ABL1 | |
| SCHEMBL953894 | 0.73 | ADORA2A (0.34) | ATRMCL1ADORA2AADORA1ABL1 | |
| SCHEMBL953238 | 0.72 | CYP4F2 (0.31) | ABL1CYP4F2CYP4A11 | |
| SCHEMBL954441 | 0.70 | ATR (0.32) | ATRABL1RXRARXRBRXRG | |
| SCHEMBL3791929 | 0.70 | GSK3B (0.42) | — |
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-2391619-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |