Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | LHCGR | P22888 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1372285 | 1.00 | S1PR1 (0.66) | S1PR1CYP2C9CYP2D6CYP3A4LHCGR | |
| SCHEMBL2352564 | 1.00 | S1PR1 (0.66) | S1PR1CYP2C9CYP2D6CYP3A4LHCGR | |
| SCHEMBL2351503 | 0.89 | S1PR1 (0.68) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL1375949 | 0.89 | S1PR1 (0.68) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL2351500 | 0.89 | S1PR1 (0.68) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL1371959 | 0.85 | S1PR1 (0.77) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL1371915 | 0.85 | S1PR1 (0.73) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL13392689 | 0.84 | S1PR1 (0.72) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL13422117 | 0.84 | S1PR1 (0.72) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 | |
| SCHEMBL1372469 | 0.84 | S1PR1 (0.92) | S1PR1CYP2C9CYP2D6CYP3A4MEN1 |
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-2349252-A2 | SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010045601-A2 | SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |