Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 10/20 | 0.56 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.56 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.49 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3024966 | 0.82 | S1PR1 (0.61) | S1PR1S1PR5S1PR3 | |
| SCHEMBL27965599 | 0.81 | NPC1 (0.56) | P2RX7GRM4NPC1RAB9A | |
| SCHEMBL18027791 | 0.74 | RAB9A (0.65) | P2RX7GRM4NPC1RAB9A | |
| SCHEMBL3032476 | 0.74 | S1PR1 (0.70) | S1PR1S1PR5S1PR3 | |
| SCHEMBL13726856 | 0.73 | GRM4 (0.66) | S1PR1P2RX7GRM4 | |
| SCHEMBL4830911 | 0.72 | MAPT (0.49) | S1PR1S1PR5AGTR1RAB9A | |
| SCHEMBL3025777 | 0.72 | S1PR1 (1.00) | S1PR1S1PR5S1PR3 | |
| SCHEMBL3032473 | 0.72 | S1PR1 (1.00) | S1PR1S1PR5S1PR3 | |
| SCHEMBL2860143 | 0.72 | S1PR1 (1.00) | S1PR1S1PR5S1PR3 | |
| SCHEMBL3029274 | 0.71 | S1PR1 (1.00) | S1PR1S1PR5S1PR3 |
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 |