Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1374373 | 1.00 | S1PR1 (0.49) | S1PR1CYP2C9CYP2D6CYP3A4F2 | |
| SCHEMBL1373946 | 0.95 | S1PR1 (0.52) | S1PR1CYP2C9CYP2D6CYP3A4F2 | |
| Hydrochloric Acid SCHEMBL1375216 | 0.94 | S1PR1 (0.52) | S1PR1CYP2C9CYP2D6CYP3A4F2 | |
| SCHEMBL1375598 | 0.90 | S1PR1 (0.49) | S1PR1CYP2C9CYP2D6CYP3A4F2 | |
| SCHEMBL1371656 | 0.90 | S1PR1 (0.53) | S1PR1CYP2C9CYP2D6CYP3A4F2 | |
| SCHEMBL1372379 | 0.89 | S1PR1 (0.45) | S1PR1CYP2C9CYP2D6CYP3A4F2 | |
| SCHEMBL2170066 | 0.88 | F2 (0.46) | S1PR1CYP2C9CYP2D6CYP3A4F2 | |
| SCHEMBL1371910 | 0.88 | F2 (0.46) | S1PR1CYP2C9CYP2D6CYP3A4F2 | |
| SCHEMBL1372156 | 0.88 | S1PR1 (0.43) | S1PR1CYP2C9CYP2D6CYP3A4F2 | |
| SCHEMBL1371552 | 0.87 | S1PR1 (0.48) | S1PR1CYP2C9CYP2D6CYP3A4F2 |
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 |
|---|---|---|---|---|---|---|---|
| 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-2010045601-A2 | SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |