Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.30 |
| ▸ | MLNR | O43193 | 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 | |
|---|---|---|---|---|
| SCHEMBL2184284 | 0.92 | CYP2C9 (0.47) | CYP2C9S1PR1CYP2D6HRH3OPRM1 | |
| SCHEMBL2169856 | 0.87 | CYP2C9 (0.45) | CYP2C9S1PR1CYP2D6HRH3OPRM1 | |
| SCHEMBL3258058 | 0.86 | CYP2D6 (0.41) | CYP2C9S1PR1CYP2D6HRH3 | |
| SCHEMBL2205673 | 0.82 | S1PR1 (0.51) | CYP2C9S1PR1CYP2D6HRH3OPRM1 | |
| SCHEMBL3122969 | 0.79 | CYP2C9 (0.40) | CYP2C9S1PR1CYP2D6HRH3OPRM1 | |
| SCHEMBL2172041 | 0.79 | CYP2C9 (0.40) | CYP2C9S1PR1CYP2D6HRH3OPRM1 | |
| SCHEMBL2357176 | 0.76 | HRH3 (0.37) | CYP2C9S1PR1CYP2D6HRH3OPRM1 | |
| SCHEMBL2185958 | 0.75 | CYP2C9 (0.37) | CYP2C9S1PR1CYP2D6HRH3CYP3A4 | |
| SCHEMBL2350633 | 0.75 | OPRM1 (0.39) | CYP2C9S1PR1CYP2D6HRH3OPRM1 | |
| SCHEMBL2352992 | 0.74 | MEN1 (0.37) | CYP2C9S1PR1CYP2D6HRH3OPRM1 |
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-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |