Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.51 |
| ▸ | CPA1 | P15085 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | AGXT | P21549 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4874729 | 0.79 | TRPA1 (0.59) | TRPA1CPA1TAAR1SLC6A4IDO1 | |
| SCHEMBL1775840 | 0.79 | TRPA1 (0.59) | TRPA1CPA1TAAR1SLC6A4IDO1 | |
| SCHEMBL823637 | 0.79 | TRPA1 (0.59) | TRPA1CPA1TAAR1SLC6A4IDO1 | |
| SCHEMBL503052 | 0.78 | TRPA1 (0.39) | TRPA1SLC6A2MAOAMAOBSLC6A4 | |
| SCHEMBL503338 | 0.78 | TRPA1 (0.39) | TRPA1SLC6A2MAOAMAOBSLC6A4 | |
| SCHEMBL503051 | 0.78 | TRPA1 (0.39) | TRPA1SLC6A2MAOAMAOBSLC6A4 | |
| Methyl Carbamate SCHEMBL28108930 | 0.73 | TRPA1 (0.49) | TRPA1 | |
| SCHEMBL574669 | 0.71 | TAAR1 (0.41) | TRPA1TAAR1MAOAMAOBIDO1 | |
| SCHEMBL574565 | 0.71 | TAAR1 (0.41) | TRPA1TAAR1MAOAMAOBIDO1 | |
| SCHEMBL3932320 | 0.70 | TRPA1 (0.68) | TRPA1CPA1TAAR1SLC6A2MAOA |
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-2321287-A1 | 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010010014-A1 | 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | disclosed |