Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.80 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 4/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LHCGR | P22888 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1372180 | 1.00 | S1PR1 (0.80) | S1PR1CYP2C9CYP2D6CYP3A4CFTR | |
| SCHEMBL1372889 | 0.93 | S1PR1 (0.84) | S1PR1CYP2C9CYP2D6CYP3A4CFTR | |
| SCHEMBL2363142 | 0.93 | S1PR1 (0.84) | S1PR1CYP2C9CYP2D6CYP3A4CFTR | |
| SCHEMBL2363141 | 0.93 | S1PR1 (0.84) | S1PR1CYP2C9CYP2D6CYP3A4CFTR | |
| SCHEMBL1372133 | 0.91 | S1PR1 (0.80) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL2169860 | 0.90 | S1PR1 (0.92) | S1PR1CYP2C9CYP2D6CYP3A4CFTR | |
| SCHEMBL1372201 | 0.90 | S1PR1 (0.92) | S1PR1CYP2C9CYP2D6CYP3A4CFTR | |
| SCHEMBL1372469 | 0.90 | S1PR1 (0.92) | S1PR1CYP2C9CYP2D6CYP3A4CFTR | |
| SCHEMBL1374763 | 0.89 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4CFTR | |
| SCHEMBL1371566 | 0.88 | 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 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-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 |