Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 2/20 | 0.31 |
| ▸ | CCND1 | P24385 | 2/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9952321 | 0.87 | LMNA (0.32) | CASP1IMPDH2KDM4ETAAR1NPC1 | |
| SCHEMBL9952020 | 0.80 | CYP17A1 (0.33) | SRCKDR | |
| SCHEMBL9928737 | 0.73 | CSNK1A1 (0.41) | CASP1KDM4EMEN1KMT2AMAPK1 | |
| SCHEMBL9953135 | 0.72 | IMPDH2 (0.36) | ERN1ALOX5IMPDH2 | |
| SCHEMBL2011955 | 0.72 | IMPDH2 (0.36) | ERN1ALOX5IMPDH2MEN1KMT2A | |
| SCHEMBL9953555 | 0.71 | NPC1 (0.44) | KDM4EMEN1KMT2ANPC1POLB | |
| SCHEMBL9952031 | 0.69 | TAAR1 (0.40) | IMPDH2KDM4ETAAR1NPC1KDR | |
| SCHEMBL3904012 | 0.68 | CYP46A1 (0.36) | CASP1IMPDH2KDM4EMEN1KMT2A | |
| SCHEMBL2013694 | 0.68 | GRIN2D (0.40) | IMPDH2ALDH1A1 | |
| SCHEMBL9928999 | 0.67 | CSNK1A1 (0.43) | CASP1KDM4EMAPK1POLBALDH1A1 |
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 |