Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.37 |
| ▸ | MLNR | O43193 | 3/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL2210631 | 0.92 | CYP2C9 (0.38) | CYP2C9S1PR1SCN9AHRH3CYP2D6 | |
| SCHEMBL2169856 | 0.87 | CYP2C9 (0.45) | CYP2C9S1PR1MLNRHRH3CYP2D6 | |
| SCHEMBL3122969 | 0.86 | CYP2C9 (0.40) | CYP2C9S1PR1HRH3CYP2D6 | |
| SCHEMBL2172041 | 0.86 | CYP2C9 (0.40) | CYP2C9S1PR1HRH3CYP2D6 | |
| SCHEMBL2170954 | 0.77 | S1PR1 (0.41) | CYP2C9S1PR1CYP2D6CYP3A4 | |
| SCHEMBL2357176 | 0.77 | HRH3 (0.37) | CYP2C9S1PR1MAPTHRH3CYP2D6 | |
| SCHEMBL2187351 | 0.75 | S1PR1 (0.41) | CYP2C9S1PR1HRH3CYP2D6CYP3A4 | |
| SCHEMBL2170534 | 0.75 | CYP2C9 (0.48) | CYP2C9S1PR1MLNRHRH3CYP2D6 | |
| SCHEMBL3258058 | 0.75 | CYP2D6 (0.41) | CYP2C9S1PR1HRH3CYP2D6 | |
| SCHEMBL2205673 | 0.75 | S1PR1 (0.51) | CYP2C9S1PR1MLNRHRH3CYP2D6 |
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 1 patent. 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 |