Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL4746229 | 0.87 | MEN1 (0.43) | ALDH1A1CHRM2CHRM1CHRM3GAA | |
| SCHEMBL249539 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CHRM2CHRM1CHRM3IDO1 | |
| SCHEMBL29957820 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CHRM2CHRM1CHRM3IDO1 | |
| SCHEMBL14894360 | 0.83 | SLC22A12 (0.48) | ALDH1A1GAAHPGDCYP1A2CYP3A4 | |
| SCHEMBL5045738 | 0.83 | CHRM2 (0.45) | HTR7ALDH1A1CHRM2CHRM1CHRM3 | |
| SCHEMBL1515714 | 0.79 | L3MBTL1 (0.46) | HTR7ALDH1A1GAAERN1HPGD | |
| SCHEMBL19043338 | 0.77 | SLC13A5 (0.49) | HTR7ALDH1A1ERN1HPGD | |
| SCHEMBL5205282 | 0.76 | CA12 (0.49) | ALDH1A1GAACA12CA1CA2 | |
| SCHEMBL6177247 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CHRM2CHRM1CHRM3IDO1 | |
| SCHEMBL1515689 | 0.76 | ABL1 (0.50) | HTR7IDO1CYP1A2CYP2D6CYP2C9 |
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-2507215-A1 | DIPHENYL AZEPINE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-10-10 | — | — | EP | disclosed |
| WO-2011067219-A1 | DIPHENYL AZEPINE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-09 | — | — | WO | disclosed |