Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.33 |
| ▸ | PDE5A | O76074 | 4/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | IMPDH2 | P12268 | 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 | |
|---|---|---|---|---|
| SCHEMBL9928743 | 0.77 | PIK3CD (0.35) | KDM4ESUV39H2PDE5APDE10ASMO | |
| SCHEMBL9960454 | 0.77 | MEN1 (0.42) | CYP1A2KDM4ESUV39H2PDE5APDE10A | |
| SCHEMBL9953251 | 0.76 | PIK3CD (0.33) | PDE5APDE10A | |
| SCHEMBL9929042 | 0.76 | DRD2 (0.36) | PDE10ASMODRD2 | |
| SCHEMBL9952988 | 0.73 | L3MBTL1 (0.37) | TAAR1CYP1A2 | |
| SCHEMBL2014048 | 0.73 | TAAR1 (0.38) | TAAR1CYP1A2KDM4EHTR2A | |
| SCHEMBL9953742 | 0.70 | PIK3CD (0.35) | TAAR1CYP1A2HTR2ADRD2IMPDH2 | |
| SCHEMBL9952029 | 0.69 | TAAR1 (0.46) | TAAR1CYP1A2HTR2AIMPDH2 | |
| Hydrochloric Acid SCHEMBL9952054 | 0.68 | TAAR1 (0.45) | TAAR1CYP1A2HTR2AIMPDH2 | |
| SCHEMBL9952761 | 0.68 | IMPDH2 (0.37) | TAAR1CYP1A2KDM4EHTR2ADRD2 |
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 |