Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 7/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 3/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2353030 | 0.93 | OPRM1 (0.37) | OPRM1CYP2D6S1PR1CYP3A4MEN1 | |
| SCHEMBL2352603 | 0.85 | POLB (0.38) | OPRM1CYP2D6S1PR1CYP3A4MEN1 | |
| SCHEMBL2352992 | 0.85 | MEN1 (0.37) | OPRM1CYP2D6S1PR1CYP3A4MEN1 | |
| SCHEMBL2357176 | 0.82 | HRH3 (0.37) | OPRM1CYP2D6S1PR1CYP3A4MEN1 | |
| SCHEMBL2350633 | 0.81 | OPRM1 (0.39) | OPRM1CYP2D6S1PR1CYP3A4MEN1 | |
| SCHEMBL2172637 | 0.79 | GSK3A (0.38) | OPRM1CYP2D6S1PR1CYP3A4MEN1 | |
| SCHEMBL2352589 | 0.79 | POLB (0.37) | OPRM1CYP2D6S1PR1CYP3A4MEN1 | |
| SCHEMBL2205673 | 0.75 | S1PR1 (0.51) | OPRM1CYP2D6S1PR1CYP3A4HRH3 | |
| SCHEMBL2169856 | 0.74 | CYP2C9 (0.45) | OPRM1CYP2D6S1PR1CYP3A4HRH3 | |
| SCHEMBL3122969 | 0.73 | CYP2C9 (0.40) | OPRM1CYP2D6S1PR1HRH3MMP13 |
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 |