Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | CYP21A2 | P08686 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | SRC | P12931 | 3/20 | 0.34 |
| ▸ | BRAF | P15056 | 3/20 | 0.34 |
| ▸ | KDR | P35968 | 3/20 | 0.34 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.34 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.34 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL9952031 | 0.83 | TAAR1 (0.40) | KDRTAAR1LOXL2KDM4EMAPK1 | |
| SCHEMBL9952020 | 0.81 | CYP17A1 (0.33) | CYP17A1CYP21A2CYP11B1SRCBRAF | |
| SCHEMBL9952963 | 0.78 | TAAR1 (0.40) | TAAR1LOXL2DPP4KDM4EHSD17B10 | |
| SCHEMBL9929231 | 0.76 | SRC (0.34) | CYP17A1CYP21A2CYP11B1SRCBRAF | |
| SCHEMBL9929024 | 0.73 | CSNK1A1 (0.37) | CYP17A1CYP21A2CYP11B1SRCBRAF | |
| SCHEMBL9953131 | 0.73 | TAAR1 (0.31) | TAAR1 | |
| SCHEMBL2015599 | 0.70 | BCL2 (0.36) | TAAR1 | |
| SCHEMBL17337221 | 0.69 | PRKCZ (0.35) | — | |
| SCHEMBL9953145 | 0.67 | L3MBTL1 (0.34) | CYP11B1MAPK1HSD17B10 | |
| SCHEMBL9952729 | 0.66 | PIK3CD (0.44) | TAAR1KDM4EHSD17B10ADORA2AADORA2B |
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-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 |