Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 5/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.32 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9952628 | 0.88 | PIK3CD (0.38) | MTORPIK3CAPTK2METCYP1A2 | |
| SCHEMBL9952089 | 0.84 | BRAF (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL9929020 | 0.82 | PIK3CD (0.42) | MTORPIK3CARPS6KB1PIK3CD | |
| SCHEMBL9960655 | 0.80 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL9952872 | 0.76 | KMO (0.38) | MTORPIK3CACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9952453 | 0.75 | PIK3CD (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL9952102 | 0.75 | PIK3CD (0.37) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL9953812 | 0.75 | PIK3CD (0.37) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL9954226 | 0.74 | PIK3CD (0.36) | MTORMETBRD4LMNAMEN1 | |
| SCHEMBL9953118 | 0.73 | CYP1A2 (0.37) | MTORPIK3CACYP1A2CYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655374-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | Incyte Corporation (US) | 2013-10-30 | — | — | EP | claimed |
| WO-2012087881-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2012-06-28 | — | — | WO | claimed |
| EP-2655374-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | Incyte Corporation (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087881-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2012-06-28 | — | — | WO | disclosed |