Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 14/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 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 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9899613 | 0.88 | ROCK2 (0.43) | CHRM3MGLLROCK2NPC1RECQL | |
| SCHEMBL9899749 | 0.77 | SLC22A12 (0.42) | CHRM3 | |
| SCHEMBL15261885 | 0.76 | LPAR1 (0.45) | CHRM3CA12CA1CA2CA9 | |
| SCHEMBL9915920 | 0.76 | LPAR1 (0.45) | CHRM3CA12CA1CA2CA9 | |
| SCHEMBL9905623 | 0.74 | MGLL (0.50) | CHRM3MGLLROCK2CHRM2CHRM1 | |
| SCHEMBL16926998 | 0.71 | CA1 (0.47) | CA12CA1CA2CA9CHRM1 | |
| SCHEMBL6609768 | 0.70 | CYP1A2 (0.63) | CHRM3CHRM2CHRM1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10875637 | 0.69 | MGLL (0.55) | MGLLROCK2NPC1RECQLRAB9A | |
| SCHEMBL17856291 | 0.69 | CHRM3 (0.59) | CHRM3CHRM2CHRM1ALDH1A1NPY1R | |
| SCHEMBL5368850 | 0.69 | PLAU (0.61) | MGLLNPC1RAB9APTPN1ALDH1A1 |
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 | disclosed |
| WO-2012078593-A2 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF | AMIRA PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | WO | disclosed |