Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 3/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2171565 | 0.82 | KMT2A (0.53) | S1PR1CYP2C9THRBALOX12KMT2A | |
| SCHEMBL2351503 | 0.80 | S1PR1 (0.68) | S1PR1CYP2C9KMT2ACYP2D6CYP3A4 | |
| SCHEMBL2351500 | 0.80 | S1PR1 (0.68) | S1PR1CYP2C9KMT2ACYP2D6CYP3A4 | |
| SCHEMBL1375949 | 0.80 | S1PR1 (0.68) | S1PR1CYP2C9KMT2ACYP2D6CYP3A4 | |
| SCHEMBL2172070 | 0.79 | CYP2C9 (0.54) | CYP2C9THRBALOX12KMT2ACYP2C19 | |
| SCHEMBL2170051 | 0.78 | CYP2C9 (0.51) | CYP2C9THRBALOX12KMT2ACYP2C19 | |
| SCHEMBL2170987 | 0.77 | CYP2C9 (0.50) | S1PR1CYP2C9THRBALOX12KMT2A | |
| SCHEMBL2185824 | 0.76 | ALDH1A1 (0.56) | S1PR1CYP2C9THRBALOX12KMT2A | |
| SCHEMBL2185927 | 0.75 | S1PR1 (0.50) | S1PR1CYP2C9THRBALOX12KMT2A | |
| SCHEMBL2172224 | 0.75 | CYP2C9 (0.53) | S1PR1CYP2C9THRBALOX12KMT2A |
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 1 patent. 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 | disclosed |