Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2342324 | 0.93 | TAAR1 (0.46) | ALDH1A1MAPK1TAAR1CYP2A6CA12 | |
| SCHEMBL29119961 | 0.84 | TAAR1 (0.43) | ALDH1A1MAPK1TAAR1CYP2A6HSD17B10 | |
| SCHEMBL19110540 | 0.84 | TAAR1 (0.43) | ALDH1A1MAPK1TAAR1CYP2A6HSD17B10 | |
| SCHEMBL2841457 | 0.82 | TAAR1 (0.42) | ALDH1A1MAPK1TAAR1CYP2A6HSD17B10 | |
| SCHEMBL14700470 | 0.81 | OPRM1 (0.45) | TAAR1CA12CA2CA9 | |
| SCHEMBL15445249 | 0.79 | TAAR1 (0.31) | TAAR1 | |
| SCHEMBL14700457 | 0.79 | TAAR1 (0.31) | TAAR1 | |
| SCHEMBL15445250 | 0.79 | TAAR1 (0.31) | TAAR1 | |
| SCHEMBL15445251 | 0.79 | TAAR1 (0.31) | TAAR1 | |
| SCHEMBL15445253 | 0.79 | TAAR1 (0.31) | TAAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012078593-A2 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF | AMIRA PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | WO | disclosed |