Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 5/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9952054 | 0.98 | TAAR1 (0.45) | TAAR1CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL9953183 | 0.91 | TAAR1 (0.37) | TAAR1CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL14742274 | 0.85 | IMPDH2 (0.36) | TAAR1IMPDH2 | |
| SCHEMBL9952087 | 0.84 | IMPDH2 (0.38) | CYP1A2IMPDH2 | |
| SCHEMBL9952809 | 0.83 | TAAR1 (0.45) | TAAR1CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL9952484 | 0.82 | CYP1A2 (0.46) | TAAR1CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL30591069 | 0.82 | HTR2A (0.56) | TAAR1CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL9952278 | 0.79 | ALDH1A1 (0.38) | IMPDH2 | |
| SCHEMBL24136593 | 0.78 | TAAR1 (0.50) | TAAR1CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL30466432 | 0.78 | TAAR1 (0.50) | TAAR1CYP1A2HTR2AHTR2CHTR2B |
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 |