Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.61 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.61 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2879406 | 0.82 | S1PR1 (0.60) | S1PR1 | |
| SCHEMBL2878018 | 0.76 | S1PR1 (0.62) | S1PR1S1PR3 | |
| SCHEMBL3040616 | 0.76 | S1PR1 (1.00) | S1PR1S1PR3S1PR5 | |
| SCHEMBL2772685 | 0.75 | KMO (0.51) | S1PR1S1PR5 | |
| SCHEMBL2878832 | 0.73 | S1PR1 (0.57) | S1PR1S1PR3S1PR5 | |
| SCHEMBL13215622 | 0.72 | S1PR1 (0.91) | S1PR1S1PR3S1PR5 | |
| SCHEMBL13944294 | 0.71 | S1PR1 (0.78) | S1PR1S1PR5 | |
| SCHEMBL3040423 | 0.70 | S1PR1 (1.00) | S1PR1S1PR5 | |
| SCHEMBL2880309 | 0.70 | S1PR1 (0.43) | S1PR1S1PR5 | |
| SCHEMBL13216765 | 0.70 | S1PR1 (0.89) | S1PR1S1PR3S1PR5 |
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-2183224-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | Merck Serono S.A. (CH) | 2010-05-12 | — | — | EP | disclosed |
| WO-2009019167-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO S.A. (CH) | 2009-02-12 | — | — | WO | disclosed |