Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9808291 | 0.89 | KCNH2 (0.57) | TAAR1CYP2C9CYP2C19KCNH2CA12 | |
| SCHEMBL17188578 | 0.88 | CA1 (0.44) | TAAR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Diphenylether SCHEMBL10632533 | 0.82 | LTA4H (0.57) | KCNH2CA12CA1CA2CA7 | |
| SCHEMBL10571938 | 0.80 | KCNH2 (0.50) | TAAR1CYP2C9CYP2C19KCNH2CA12 | |
| SCHEMBL1790840 | 0.79 | KCNH2 (0.53) | TAAR1CYP2C9CYP2C19KCNH2CA12 | |
| SCHEMBL17188580 | 0.79 | KDM4E (0.56) | TAAR1CA12CA1CA2CA7 | |
| SCHEMBL17188576 | 0.79 | GRM5 (0.49) | CYP1A2CYP2C19KCNH2ALDH1A1 | |
| SCHEMBL17188581 | 0.79 | AGXT (0.61) | CYP1A2KCNH2CA1CA2CA9 | |
| SCHEMBL7501197 | 0.78 | KCNH2 (0.49) | TAAR1KCNH2CA12CA1CA2 | |
| SCHEMBL14085300 | 0.78 | KCNH2 (0.53) | TAAR1CYP1A2KCNH2CA12CA1 |
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-9161922-B2 | Amine oxidase inhibitors | CASE WESTERN RESERVE UNIVERSITY (US) | 2015-10-20 | — | — | US | disclosed |
| WO-2009057668-A1 | AMIDE COMPOUND AND PLANT DISEASE CONTROL USING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-05-07 | — | — | WO | disclosed |