Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 15/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.43 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.41 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9899814 | 0.88 | ROCK2 (0.45) | MGLLROCK2LPAR1LPAR3NPC1 | |
| SCHEMBL2636154 | 0.82 | ROCK2 (0.45) | MGLLROCK2LPAR1LPAR3NPC1 | |
| SCHEMBL9900929 | 0.78 | MGLL (0.45) | MGLLROCK2LPAR1LPAR3NPC1 | |
| SCHEMBL1246583 | 0.77 | LPAR1 (0.49) | MGLLROCK2LPAR1LPAR3ALDH1A1 | |
| SCHEMBL2761279 | 0.77 | LPAR1 (0.56) | MGLLROCK2LPAR1LPAR3NPC1 | |
| SCHEMBL9899393 | 0.77 | LPAR1 (0.40) | ROCK2CHRM3LPAR1LPAR3 | |
| SCHEMBL6695 | 0.76 | LPAR1 (0.67) | MGLLROCK2LPAR1LPAR3 | |
| SCHEMBL14711429 | 0.76 | LPAR1 (0.68) | LPAR1LPAR3 | |
| SCHEMBL9904178 | 0.76 | LPAR1 (0.68) | LPAR1LPAR3 | |
| SCHEMBL2636437 | 0.75 | LPAR1 (0.54) | MGLLROCK2LPAR1LPAR3NPC1 |
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-2648714-A2 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF | Amira Pharmaceuticals, Inc. (US) | 2013-10-16 | — | — | EP | claimed |
| WO-2012078593-A2 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF | AMIRA PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | WO | claimed |