Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | FNTA | P49354 | 2/20 | 0.44 |
| ▸ | FNTB | P49356 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 3/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1372387 | 1.00 | S1PR1 (0.51) | S1PR1CYP3A4CYP2D6CYP2C9HDAC2 | |
| SCHEMBL2171912 | 0.89 | FPR2 (0.48) | S1PR1CYP3A4CYP2D6CYP2C9EPHX2 | |
| SCHEMBL1375586 | 0.89 | FPR2 (0.48) | S1PR1CYP3A4CYP2D6CYP2C9EPHX2 | |
| SCHEMBL2355325 | 0.83 | HRH3 (0.47) | S1PR1CYP3A4CYP2D6CYP2C9EPHX2 | |
| SCHEMBL1372130 | 0.82 | EPHX2 (0.48) | S1PR1CYP3A4CYP2D6CYP2C9EPHX2 | |
| SCHEMBL2169869 | 0.82 | EPHX2 (0.48) | S1PR1CYP3A4CYP2D6CYP2C9EPHX2 | |
| SCHEMBL1375039 | 0.82 | EPHX2 (0.48) | S1PR1CYP3A4CYP2D6CYP2C9EPHX2 | |
| SCHEMBL1373852 | 0.82 | EPHX2 (0.48) | S1PR1CYP3A4CYP2D6CYP2C9EPHX2 | |
| SCHEMBL1371656 | 0.81 | S1PR1 (0.53) | S1PR1CYP3A4CYP2D6CYP2C9EPHX2 | |
| SCHEMBL3129745 | 0.81 | EPHX2 (0.45) | S1PR1CYP3A4CYP2D6CYP2C9EPHX2 |
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 |