Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 16/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 15/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12472206 | 0.83 | ABCC1 (0.37) | MAPK1HTTTAAR1 | |
| SCHEMBL12472836 | 0.83 | MAPK1 (0.33) | RPS6KB1PDPK1MAPK1HTTTAAR1 | |
| SCHEMBL5607475 | 0.83 | ALDH1A1 (0.50) | MAPK1HTT | |
| SCHEMBL12472023 | 0.81 | HTT (0.35) | MAPK1HTTTAAR1 | |
| SCHEMBL12472046 | 0.81 | MAPT (0.44) | MAPK1HTTTAAR1 | |
| SCHEMBL2432095 | 0.80 | PIK3CD (0.41) | MAPK1HTTTAAR1 | |
| SCHEMBL12472992 | 0.80 | MAPK8 (0.33) | AURKAMAPK1HTTTAAR1 | |
| SCHEMBL14993340 | 0.80 | PIK3CD (0.51) | — | |
| SCHEMBL5606978 | 0.80 | PIK3CG (0.51) | — | |
| SCHEMBL5606808 | 0.80 | PIK3CD (0.51) | — |
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-2673269-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |