Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 5/20 | 0.59 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 8/20 | 0.43 |
| ▸ | RAB9A | P51151 | 8/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14327883 | 0.78 | NPC1 (0.69) | S1PR1S1PR3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13417243 | 0.78 | CA9 (0.72) | S1PR1CA2CA9CA12CA1 | |
| SCHEMBL13416804 | 0.74 | S1PR1 (1.00) | S1PR1S1PR3NPC1RAB9AMAPT | |
| SCHEMBL1421385 | 0.72 | S1PR1 (0.62) | S1PR1S1PR3CA2CA9CA12 | |
| SCHEMBL1421279 | 0.71 | CHRNB2 (0.81) | S1PR1CA9NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1421813 | 0.71 | CHRNB2 (0.81) | S1PR1CA9NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1421660 | 0.70 | S1PR1 (0.56) | S1PR1S1PR3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1421533 | 0.69 | CHRNB2 (0.68) | S1PR1S1PR3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1421657 | 0.68 | S1PR1 (0.57) | S1PR1S1PR3NPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1422985 | 0.68 | CHRNB2 (0.67) | S1PR1S1PR3NPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009151529-A9 | NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2010-04-08 | — | — | WO | disclosed |
| WO-2009151529-A1 | NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2009-12-17 | — | — | WO | disclosed |