Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL9953164 | 0.83 | CYP17A1 (0.36) | TAAR1LOXL2IMPDH2KDM4EMAPK1 | |
| SCHEMBL9952321 | 0.78 | LMNA (0.32) | TAAR1IMPDH2KDM4EMAPK1HSD17B10 | |
| SCHEMBL9953117 | 0.72 | NPC1 (0.44) | KDM4ENPC1 | |
| SCHEMBL9952226 | 0.71 | HTT (0.38) | TAAR1MAPK1HSD17B10LMNANPC1 | |
| SCHEMBL3907346 | 0.71 | TAAR1 (0.53) | TAAR1LOXL2HTR2A | |
| SCHEMBL9928920 | 0.71 | LMNA (0.39) | IMPDH2KDM4EMAPK1HSD17B10NQO2 | |
| SCHEMBL9952963 | 0.69 | TAAR1 (0.40) | TAAR1LOXL2KDM4EHSD17B10ADORA2A | |
| SCHEMBL9952234 | 0.69 | ERN1 (0.35) | TAAR1IMPDH2KDM4EMAPK1HSD17B10 | |
| SCHEMBL9928999 | 0.68 | CSNK1A1 (0.43) | KDM4EMAPK1ROCK1 | |
| SCHEMBL21652623 | 0.68 | MAPT (0.56) | IMPDH2KDM4EMAPK1HSD17B10LMNA |
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 |