Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL13484315 | 0.82 | ADRB2 (0.39) | CYP2D6CYP19A1CYP2C9CYP2C19HTT | |
| SCHEMBL13484328 | 0.78 | TSHR (0.46) | CYP2D6CYP19A1CYP2C9CYP2C19HTT | |
| SCHEMBL13848635 | 0.76 | CYP2A6 (0.43) | CYP19A1CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL13848516 | 0.74 | S1PR1 (0.39) | CYP19A1KDM4EALDH1A1SMN1; SMN2ADRB2 | |
| SCHEMBL13484284 | 0.74 | — | — | |
| SCHEMBL13744681 | 0.73 | CYP2D6 (0.39) | CYP2D6CYP19A1CYP2C9CYP2C19ADORA2A | |
| SCHEMBL13484391 | 0.73 | FAAH (0.39) | CYP2D6CYP19A1CYP2C9CYP2C19CDC7 | |
| SCHEMBL13484022 | 0.73 | ENPP3 (0.43) | CYP2D6CYP19A1CYP2C9CYP2C19CDC7 | |
| SCHEMBL13484329 | 0.71 | HSP90AA1 (0.37) | ADORA2AADORA2BADRB2CYP1A2RAB9A | |
| SCHEMBL13744533 | 0.71 | HTR2C (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7662971-B2 | enzyme inhibitor for treating sleep disorders | THE SCRIPPS RESEARCH INSTITUTE (US) | 2010-02-16 | — | — | US | disclosed |
| EP-2093220-A2 | Inhibitors of fatty acid amide hydrolase | The Scripps Research Institute (US) | 2009-08-26 | — | — | EP | disclosed |