Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 18/20 | 0.57 |
| ▸ | S1PR3 | Q99500 | 16/20 | 0.57 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.51 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.51 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5224901 | 0.89 | S1PR1 (0.55) | S1PR1S1PR3CACNA1GCACNA1HCACNA1I | |
| SCHEMBL6089568 | 0.85 | S1PR1 (0.74) | S1PR1S1PR3 | |
| SCHEMBL1384043 | 0.85 | S1PR1 (0.74) | S1PR1S1PR3 | |
| SCHEMBL6091372 | 0.83 | S1PR1 (0.75) | S1PR1S1PR3 | |
| SCHEMBL5221781 | 0.83 | S1PR1 (0.54) | S1PR1S1PR3CACNA1GCACNA1HCACNA1I | |
| SCHEMBL2456239 | 0.83 | S1PR1 (0.77) | S1PR1S1PR3 | |
| SCHEMBL12332737 | 0.82 | CACNA1G (0.57) | S1PR1S1PR3CACNA1GCACNA1HCACNA1I | |
| SCHEMBL2343541 | 0.82 | CACNA1G (0.57) | S1PR1S1PR3CACNA1GCACNA1HCACNA1I | |
| SCHEMBL6111387 | 0.81 | S1PR1 (0.75) | S1PR1S1PR3 | |
| SCHEMBL2945633 | 0.81 | CACNA1G (0.74) | S1PR1S1PR3CACNA1GCACNA1HCACNA1I |
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-1805163-A2 | 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA¬A|PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006010544-A2 | 1, 1A, 5, 5A-TETRAHYDRO-3-THIA-CYCLOPROPA’A! PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-02-02 | — | — | WO | disclosed |