Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9952029 | 0.91 | TAAR1 (0.46) | TAAR1CYP1A2HTR2AHTR2CIMPDH2 | |
| Hydrochloric Acid SCHEMBL9952054 | 0.89 | TAAR1 (0.45) | TAAR1CYP1A2HTR2AHTR2CIMPDH2 | |
| SCHEMBL14742274 | 0.83 | IMPDH2 (0.36) | TAAR1IMPDH2SLC2A1CA2CA4 | |
| SCHEMBL9952087 | 0.81 | IMPDH2 (0.38) | CYP1A2IMPDH2SLC2A1KDM4EALDH1A1 | |
| SCHEMBL9952084 | 0.80 | LMNA (0.38) | IMPDH2SLC2A1KDM4EALDH1A1GAA | |
| SCHEMBL9952278 | 0.76 | ALDH1A1 (0.38) | IMPDH2SLC2A1KDM4EALDH1A1GAA | |
| SCHEMBL9952629 | 0.75 | IMPDH2 (0.47) | CYP1A2IMPDH2SLC2A1KDM4EALDH1A1 | |
| SCHEMBL9952473 | 0.74 | IMPDH2 (0.41) | CYP1A2IMPDH2HTR2BSLC2A1KDM4E | |
| SCHEMBL9952809 | 0.74 | TAAR1 (0.45) | TAAR1CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL11858149 | 0.73 | CYP1A2 (0.54) | 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 |