Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 19/20 | 0.67 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16705110 | 0.91 | S1PR1 (0.69) | S1PR1S1PR3 | |
| SCHEMBL14926465 | 0.90 | S1PR1 (0.74) | S1PR1S1PR3NPC1RAB9A | |
| SCHEMBL27904564 | 0.86 | S1PR1 (0.69) | S1PR1S1PR3 | |
| SCHEMBL319532 | 0.83 | S1PR1 (0.65) | S1PR1S1PR3 | |
| SCHEMBL557673 | 0.83 | S1PR1 (0.59) | S1PR1S1PR3 | |
| SCHEMBL10208209 | 0.83 | S1PR1 (0.69) | S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL27904558 | 0.82 | S1PR1 (0.64) | S1PR1S1PR3 | |
| SCHEMBL13601853 | 0.82 | S1PR1 (0.64) | S1PR1S1PR3 | |
| SCHEMBL320159 | 0.82 | S1PR1 (0.67) | S1PR1S1PR3 | |
| SCHEMBL27922398 | 0.82 | S1PR1 (0.67) | 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-2590956-A1 | 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS | Merck Serono S.A. (CH) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004287-A1 | 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS | MERCK SERONO S.A. (CH) | 2012-01-12 | — | — | WO | disclosed |