Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 8/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL9953224 | 0.87 | CYP11B1 (0.36) | CYP11B2CYP11B1CYP17A1PIK3CDTLR7 | |
| SCHEMBL9953178 | 0.86 | CYP17A1 (0.36) | CYP11B2CYP11B1CYP17A1PIK3CDTLR7 | |
| SCHEMBL9952172 | 0.77 | PIK3CD (0.39) | PIK3CD | |
| SCHEMBL12813269 | 0.76 | PIK3CD (0.49) | PIK3CD | |
| SCHEMBL9953175 | 0.75 | CYP11B1 (0.36) | CYP11B2CYP11B1CYP17A1PIK3CDTLR7 | |
| SCHEMBL9929182 | 0.75 | PIK3CD (0.39) | CYP11B2CYP11B1CYP17A1PIK3CDTLR7 | |
| SCHEMBL9952823 | 0.75 | PIK3CD (0.42) | PIK3CD | |
| Hydrochloric Acid SCHEMBL9928897 | 0.74 | PIK3CD (0.39) | CYP11B2CYP11B1CYP17A1PIK3CDTLR7 | |
| Trifluoroacetic Acid SCHEMBL9952359 | 0.72 | PIK3CD (0.37) | PIK3CD | |
| SCHEMBL9953183 | 0.71 | TAAR1 (0.37) | — |
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 |