Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 15/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1663938 | 0.89 | S1PR1 (0.60) | S1PR1S1PR3 | |
| SCHEMBL1661973 | 0.80 | S1PR1 (0.44) | S1PR1S1PR3 | |
| SCHEMBL1664129 | 0.77 | S1PR1 (0.44) | S1PR1S1PR3 | |
| SCHEMBL1662328 | 0.75 | S1PR1 (0.65) | S1PR1S1PR3 | |
| SCHEMBL1661192 | 0.75 | S1PR1 (0.76) | S1PR1S1PR3 | |
| SCHEMBL30863327 | 0.71 | VCAM1 (0.66) | VCAM1ALDH1A1 | |
| SCHEMBL1661683 | 0.71 | S1PR1 (0.65) | S1PR1S1PR3 | |
| SCHEMBL1661220 | 0.71 | S1PR1 (0.59) | S1PR1S1PR3 | |
| SCHEMBL1661866 | 0.70 | S1PR1 (0.59) | S1PR1S1PR3 | |
| SCHEMBL1661485 | 0.70 | S1PR1 (0.61) | S1PR1S1PR3 |
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-2306994-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | Amgen, Inc (US) | 2011-04-13 | — | — | EP | disclosed |
| WO-2009154775-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. (US) | 2009-12-23 | — | — | WO | disclosed |