Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
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 | 0.89 | CYP2C9 (0.47) | CYP2D6CYP2C9S1PR1HRH3 | |
| SCHEMBL2187351 | 0.86 | S1PR1 (0.41) | CYP2D6CYP2C9S1PR1HRH3 | |
| SCHEMBL2170534 | 0.86 | CYP2C9 (0.48) | CYP2D6CYP2C9S1PR1HRH3 | |
| SCHEMBL2210631 | 0.79 | CYP2C9 (0.38) | CYP2D6CYP2C9S1PR1HRH3 | |
| SCHEMBL2205673 | 0.75 | S1PR1 (0.51) | CYP2D6CYP2C9S1PR1HRH3 | |
| SCHEMBL2185958 | 0.75 | CYP2C9 (0.37) | CYP2D6CYP2C9S1PR1HRH3 | |
| SCHEMBL2170954 | 0.73 | S1PR1 (0.41) | CYP2D6CYP2C9S1PR1 | |
| SCHEMBL2169856 | 0.73 | CYP2C9 (0.45) | CYP2D6CYP2C9S1PR1HRH3 | |
| SCHEMBL2172041 | 0.72 | CYP2C9 (0.40) | CYP2D6CYP2C9S1PR1HRH3 | |
| SCHEMBL3122969 | 0.72 | CYP2C9 (0.40) | CYP2D6CYP2C9S1PR1HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |