Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 2/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9953117 | 0.86 | NPC1 (0.44) | NPC1SIGMAR1ALDH1A1KDM4EMEN1 | |
| SCHEMBL9928824 | 0.83 | SIGMAR1 (0.47) | NPC1SIGMAR1ALDH1A1KDM4EMEN1 | |
| SCHEMBL9929045 | 0.81 | NPC1 (0.44) | NPC1SIGMAR1ALDH1A1KDM4EMEN1 | |
| SCHEMBL9952314 | 0.81 | ALDH1A1 (0.49) | NPC1SIGMAR1ALDH1A1KDM4EMEN1 | |
| SCHEMBL9960559 | 0.76 | ALDH1A1 (0.36) | NPC1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL9952321 | 0.74 | LMNA (0.32) | NPC1KDM4EROCK1 | |
| SCHEMBL9952234 | 0.71 | ERN1 (0.35) | NPC1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL9928804 | 0.71 | PIK3CD (0.45) | NPC1KITFLT3 | |
| SCHEMBL4711024 | 0.68 | TSHR (0.54) | ALDH1A1KDM4EMEN1KMT2ASYK | |
| SCHEMBL1601864 | 0.68 | KIT (0.50) | NPC1SIGMAR1ALDH1A1KDM4ETSHR |
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 |