Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.82 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.80 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | FPR1 | P21462 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1375581 | 1.00 | S1PR1 (0.82) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL2170136 | 0.93 | S1PR1 (0.87) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL1373052 | 0.93 | S1PR1 (0.87) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL1375520 | 0.92 | S1PR1 (0.83) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL1373750 | 0.91 | S1PR1 (0.83) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL2186351 | 0.91 | S1PR1 (0.83) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL2170080 | 0.90 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL1373685 | 0.90 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL1374243 | 0.89 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL1374743 | 0.89 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4FAAH |
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 4 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 | claimed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | claimed |
| EP-2349252-A2 | SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010045601-A2 | SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |