Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 4/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.45 |
| ▸ | SCN4A | P35499 | 2/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.40 |
| ▸ | FAP | Q12884 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3935731 | 1.00 | DPP4 (0.47) | DPP4DPP7TAAR1SCN4ADPP8 | |
| SCHEMBL23420598 | 0.82 | HTR2A (0.50) | DPP4DPP7TAAR1SCN4ADPP8 | |
| SCHEMBL4708624 | 0.82 | TAAR1 (0.52) | DPP4DPP7TAAR1SCN4ADPP8 | |
| SCHEMBL7211808 | 0.82 | TAAR1 (0.52) | DPP4DPP7TAAR1SCN4ADPP8 | |
| SCHEMBL15947414 | 0.81 | TAAR1 (0.52) | DPP4DPP7TAAR1SLC6A2SLC6A4 | |
| SCHEMBL5324683 | 0.80 | TAAR1 (0.45) | DPP4DPP7TAAR1SCN4ADPP8 | |
| SCHEMBL7211801 | 0.80 | TAAR1 (0.45) | DPP4DPP7TAAR1SCN4ADPP8 | |
| SCHEMBL20382389 | 0.79 | TAAR1 (0.48) | DPP4DPP7TAAR1DPP8DPP9 | |
| SCHEMBL28114893 | 0.79 | TAAR1 (0.43) | DPP4DPP7TAAR1PPARGPPARA | |
| SCHEMBL3129897 | 0.78 | TAAR1 (0.44) | DPP4DPP7TAAR1SCN4ADPP8 |
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-2001096319-A1 | TRANS-GLYCOSIDATION PROCESS FOR THE SYNTHESIS OF (2R, 2-ALPHA-R, 3A)-2-[1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY]-3-(4-FLUOROPHENYL)-1,4-OXAZINE | MERCK & CO., INC. (US) | 2001-12-20 | — | — | WO | disclosed |