Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CASR | P41180 | 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 | |
|---|---|---|---|---|
| SCHEMBL23669838 | 0.75 | CYP2C19 (0.44) | TAAR1ALDH1A1PTGES2CYP2C19ALOX15 | |
| SCHEMBL23669025 | 0.75 | CYP2C19 (0.44) | TAAR1ALDH1A1PTGES2CYP2C19ALOX15 | |
| SCHEMBL23669022 | 0.75 | CYP2C19 (0.44) | TAAR1ALDH1A1PTGES2CYP2C19ALOX15 | |
| Hydrochloric Acid SCHEMBL320520 | 0.73 | ALDH1A1 (0.48) | TAAR1ALDH1A1ADRA2ALMNA | |
| SCHEMBL28458253 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP2C19ADRA2ALMNAALOX5 | |
| SCHEMBL15422816 | 0.70 | AOC3 (0.46) | HRH1ALDH1A1CYP2C19LMNAKMT2A | |
| SCHEMBL11792828 | 0.68 | ALDH1A1 (0.53) | ALDH1A1CYP2C19CYP3A4LMNACYP1A2 | |
| SCHEMBL1792962 | 0.68 | PTGES2 (0.44) | TAAR1ALDH1A1PTGES2ADRA2ALMNA | |
| SCHEMBL2243710 | 0.68 | RIPK1 (0.57) | TAAR1 | |
| SCHEMBL18028786 | 0.68 | PTGES2 (0.44) | TAAR1ALDH1A1PTGES2ADRA2ALMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3319962-A1 | ARYL SULTAM DERIVATIVES AS RORc MODULATORS | H. Hoffnabb-La Roche Ag (CH) | 2018-05-16 | — | — | EP | disclosed |
| EP-3233849-A1 | HETEROARYLALKYLENE ARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. Hoffmann-La Roche AG (CH) | 2017-10-25 | — | — | EP | disclosed |
| WO-2017005900-A1 | ARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-01-12 | — | — | WO | disclosed |
| EP-3092239-A1 | ARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. Hoffmann-La Roche AG (CH) | 2016-11-16 | — | — | EP | disclosed |
| WO-2016096936-A1 | HETEROARYLALKYLENE ARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-23 | — | — | WO | disclosed |
| WO-2015104354-A1 | ARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-07-16 | — | — | WO | disclosed |