Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.92 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.92 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | MC3R | P41968 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1372925 | 1.00 | S1PR1 (0.92) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL1372047 | 0.96 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL2172462 | 0.96 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL2170536 | 0.92 | S1PR1 (0.92) | S1PR1CYP2C9CYP2D6CYP3A4POLB | |
| SCHEMBL1375493 | 0.92 | S1PR1 (0.92) | S1PR1CYP2C9CYP2D6CYP3A4POLB | |
| SCHEMBL12044740 | 0.92 | S1PR1 (0.92) | S1PR1CYP2C9CYP2D6CYP3A4POLB | |
| SCHEMBL2187413 | 0.91 | S1PR1 (0.81) | S1PR1CYP2C9CYP2D6CYP3A4POLB | |
| SCHEMBL1371566 | 0.91 | S1PR1 (0.81) | S1PR1CYP2C9CYP2D6CYP3A4POLB | |
| SCHEMBL2184289 | 0.91 | S1PR1 (0.89) | S1PR1CYP2C9CYP2D6CYP3A4POLB | |
| SCHEMBL2183159 | 0.91 | S1PR1 (0.81) | S1PR1CYP2C9CYP2D6CYP3A4CFTR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102245174-B | Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents | EXELIXIS INC | 2013-11-06 | — | — | CN | disclosed |
| 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 |