Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28745675 | 0.89 | CHRNB2 (0.52) | TAAR1HTR2ACHRNB2CHRNA4 | |
| SCHEMBL1666957 | 0.78 | GABBR2 (0.47) | — | |
| SCHEMBL5402204 | 0.77 | DPP4 (0.56) | TAAR1HTR2ADPP4F2 | |
| SCHEMBL1258400 | 0.72 | TAAR1 (0.52) | TAAR1HTR2ACHRNB2CHRNA4DPP4 | |
| SCHEMBL6991789 | 0.72 | TAAR1 (0.52) | TAAR1HTR2ACHRNB2CHRNA4DPP4 | |
| SCHEMBL7291506 | 0.72 | TAAR1 (0.52) | TAAR1HTR2ACHRNB2CHRNA4DPP4 | |
| SCHEMBL28080494 | 0.72 | TAAR1 (0.52) | TAAR1HTR2ACHRNB2CHRNA4DPP4 | |
| SCHEMBL4773075 | 0.72 | TAAR1 (0.56) | TAAR1HTR2ACHRNB2CHRNA4DPP4 | |
| SCHEMBL3640948 | 0.72 | DPP4 (0.62) | TAAR1HTR2ACHRNB2CHRNA4DPP4 | |
| Iodide SCHEMBL28932197 | 0.71 | TAAR1 (0.50) | TAAR1HTR2ACHRNB2CHRNA4HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5786352-A | CARDIOVASCULAR DISORDERS, TACHYKININ RECEPTOR ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-07-28 | — | — | US | disclosed |