Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.73 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.61 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL3432563 | 0.93 | S1PR1 (0.71) | S1PR1S1PR3S1PR5CYP3A4CYP2C9 | |
| SCHEMBL3432043 | 0.91 | S1PR1 (0.72) | S1PR1S1PR3S1PR5CYP3A4CYP2C9 | |
| SCHEMBL2602088 | 0.91 | S1PR1 (0.67) | S1PR1S1PR3S1PR5 | |
| SCHEMBL2122078 | 0.90 | S1PR1 (0.75) | S1PR1S1PR3S1PR5CYP3A4CYP2C9 | |
| SCHEMBL2121679 | 0.89 | S1PR1 (0.74) | S1PR1S1PR3S1PR5CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL2122007 | 0.89 | S1PR1 (0.74) | S1PR1S1PR3S1PR5CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL2123004 | 0.88 | S1PR1 (0.73) | S1PR1S1PR3S1PR5CYP3A4CYP2C9 | |
| SCHEMBL2124330 | 0.88 | S1PR1 (0.68) | S1PR1S1PR3S1PR5CYP3A4CYP2C9 | |
| SCHEMBL3430836 | 0.87 | S1PR1 (0.70) | S1PR1S1PR3S1PR5CYP3A4CYP2C9 | |
| SCHEMBL2121784 | 0.86 | S1PR1 (0.69) | S1PR1S1PR3S1PR5KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010146105-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | GLAXO GROUP LIMITED (GB) | 2010-12-23 | — | — | WO | disclosed |