Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9180894 | 0.75 | TAAR1 (0.34) | CYP3A4CYP1A2CYP2D6TAAR1CYP2C19 | |
| SCHEMBL8558815 | 0.75 | TAAR1 (0.34) | CYP3A4CYP1A2CYP2D6TAAR1CYP2C19 | |
| SCHEMBL31066736 | 0.73 | MTOR (0.43) | CYP3A4TAAR1ALOX15HRH1 | |
| SCHEMBL1586715 | 0.70 | TACR1 (0.42) | CYP3A4CYP2D6CYP2C9TAAR1CYP2C19 | |
| SCHEMBL4746204 | 0.69 | USP2 (0.44) | CYP3A4USP2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL20669337 | 0.69 | CYP1A2 (0.42) | CYP3A4USP2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL20669103 | 0.69 | CYP1A2 (0.42) | CYP3A4USP2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1586598 | 0.68 | ALDH1A1 (0.42) | CYP3A4CYP1A2CYP2D6CYP2C9TAAR1 | |
| SCHEMBL21981366 | 0.66 | OPRM1 (0.41) | CYP3A4USP2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL20669107 | 0.66 | OPRM1 (0.41) | CYP3A4USP2CYP1A2CYP2D6CYP2C9 |
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-2490687-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | Vertex Pharmaceuticals Incorporated (US) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011050325-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-28 | — | — | WO | disclosed |