Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 8/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 2/20 | 0.39 |
| ▸ | FNTB | P49356 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | F13A1 | P00488 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2170257 | 1.00 | S1PR1 (0.42) | S1PR1CYP2D6CYP3A4FAAHCYP2C9 | |
| SCHEMBL1372949 | 1.00 | S1PR1 (0.42) | S1PR1CYP2D6CYP3A4FAAHCYP2C9 | |
| SCHEMBL1375619 | 0.91 | HDAC8 (0.41) | S1PR1CYP2D6CYP3A4CYP2C9EPHX2 | |
| SCHEMBL2170199 | 0.90 | MAPT (0.43) | S1PR1CYP2D6CYP3A4CYP2C9EPHX2 | |
| SCHEMBL1372153 | 0.90 | S1PR1 (0.41) | S1PR1CYP2D6CYP3A4FAAHCYP2C9 | |
| SCHEMBL1372956 | 0.90 | MAPT (0.43) | S1PR1CYP2D6CYP3A4CYP2C9EPHX2 | |
| SCHEMBL2356583 | 0.88 | S1PR1 (0.40) | S1PR1CYP2D6CYP3A4CYP2C9EPHX2 | |
| SCHEMBL1372171 | 0.88 | S1PR1 (0.40) | S1PR1CYP2D6CYP3A4CYP2C9EPHX2 | |
| SCHEMBL1371656 | 0.88 | S1PR1 (0.53) | S1PR1CYP2D6CYP3A4CYP2C9EPHX2 | |
| SCHEMBL1373946 | 0.86 | S1PR1 (0.52) | S1PR1CYP2D6CYP3A4CYP2C9EPHX2 |
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 2 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 |