Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8283344 | 0.84 | TRPA1 (0.30) | TRPA1ALDH1A1TSHR | |
| SCHEMBL10089190 | 0.77 | CES1 (0.32) | ALDH1A1 | |
| SCHEMBL9972571 | 0.77 | ACHE (0.34) | ALDH1A1TSHR | |
| SCHEMBL10269858 | 0.76 | — | — | |
| SCHEMBL10193348 | 0.76 | CA1 (0.44) | ALDH1A1TSHR | |
| SCHEMBL257867 | 0.73 | SLC6A4 (0.39) | ALDH1A1 | |
| SCHEMBL257994 | 0.70 | SLC6A4 (0.42) | ALDH1A1 | |
| SCHEMBL14232082 | 0.69 | ENPP2 (0.34) | TSHR | |
| SCHEMBL12927941 | 0.69 | CA1 (0.47) | ALDH1A1TSHR | |
| SCHEMBL9694556 | 0.67 | RORC (0.39) | TRPA1ALDH1A1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2399585-A1 | Boronic acids and esters as inhibitors of fatty acid amide hydrolase | Infinity Pharmaceuticals, Inc. (US) | 2011-12-28 | — | — | EP | disclosed |
| EP-2073816-B1 | BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE | INFINITY PHARMACEUTICALS INC (US) | 2011-09-14 | — | — | EP | disclosed |
| WO-2009010488-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS | NOVARTIS AG (CH) | 2009-01-22 | — | — | WO | disclosed |