Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.44 |
| ▸ | HTR2A | P28223 | 5/20 | 0.44 |
| ▸ | HTR2C | P28335 | 4/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9952119 | 0.88 | CYP1A2 (0.38) | CYP1A2TAAR1HTR2AHTR2CHTR2B | |
| SCHEMBL30591069 | 0.83 | HTR2A (0.56) | CYP1A2TAAR1HTR2AHTR2CHTR2B | |
| SCHEMBL9952029 | 0.82 | TAAR1 (0.46) | CYP1A2TAAR1HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL9952054 | 0.81 | TAAR1 (0.45) | CYP1A2TAAR1HTR2AHTR2CHTR2B | |
| SCHEMBL30079657 | 0.79 | CA2 (0.36) | — | |
| SCHEMBL9952125 | 0.79 | IMPDH2 (0.38) | — | |
| SCHEMBL9952809 | 0.78 | TAAR1 (0.45) | CYP1A2TAAR1HTR2AHTR2CHTR2B | |
| SCHEMBL5272765 | 0.76 | CYP1A2 (0.53) | CYP1A2TAAR1HTR2AHTR2CHTR2B | |
| SCHEMBL24163032 | 0.75 | HTR2A (0.54) | CYP1A2TAAR1HTR2AHTR2CHTR2B | |
| SCHEMBL18543623 | 0.75 | CYP1A2 (0.51) | CYP1A2TAAR1HTR2AHTR2CHTR2B |
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 |