Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 6/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 6/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | CFD | P00746 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1374243 | 1.00 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4CCR3 | |
| SCHEMBL1374743 | 1.00 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4CCR3 | |
| SCHEMBL12024932 | 0.96 | S1PR1 (0.92) | S1PR1CYP2C9CYP2D6CYP3A4CCR3 | |
| SCHEMBL1373685 | 0.96 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL2170080 | 0.96 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL1373376 | 0.93 | S1PR1 (0.85) | S1PR1CYP2C9CYP2D6CYP3A4CCR3 | |
| SCHEMBL2362252 | 0.93 | S1PR1 (0.85) | S1PR1CYP2C9CYP2D6CYP3A4CCR3 | |
| SCHEMBL1373052 | 0.92 | S1PR1 (0.87) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL2170136 | 0.92 | S1PR1 (0.87) | S1PR1CYP2C9CYP2D6CYP3A4FAAH | |
| SCHEMBL1373690 | 0.91 | S1PR1 (0.84) | S1PR1CYP2C9CYP2D6CYP3A4CCR3 |
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 6 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 |
| 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 |
| WO-2010045601-A2 | SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |