Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9952314 | 0.84 | ALDH1A1 (0.49) | ALDH1A1NPC1SYKKDM4EPOLB | |
| SCHEMBL9953117 | 0.81 | NPC1 (0.44) | ALDH1A1NPC1SYKKDM4EPOLB | |
| SCHEMBL9928960 | 0.80 | ALDH1A1 (0.49) | ALDH1A1NPC1SYKKDM4EPOLB | |
| SCHEMBL9929081 | 0.78 | ALDH1A1 (0.50) | ALDH1A1NPC1SYKKDM4EPOLB | |
| SCHEMBL9952029 | 0.72 | TAAR1 (0.46) | — | |
| SCHEMBL10278605 | 0.71 | NPC1 (0.50) | ALDH1A1NPC1SYKKDM4EPOLB | |
| Hydrochloric Acid SCHEMBL9952054 | 0.71 | TAAR1 (0.45) | — | |
| SCHEMBL26741154 | 0.70 | POLB (0.60) | ALDH1A1NPC1SYKKDM4EPOLB | |
| SCHEMBL23239917 | 0.70 | POLB (0.75) | ALDH1A1NPC1SYKKDM4EPOLB | |
| SCHEMBL10278719 | 0.69 | MEN1 (0.52) | ALDH1A1NPC1SYKKDM4EPOLB |
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 |