Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | MPO | P05164 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5250163 | 0.94 | TAAR1 (0.58) | TAAR1SIGMAR1AOC3ABCB1KCNH2 | |
| SCHEMBL6054608 | 0.88 | TAAR1 (0.64) | TAAR1SIGMAR1AOC3ABCB1KCNH2 | |
| SCHEMBL7831226 | 0.87 | TAAR1 (0.69) | TAAR1SIGMAR1AOC3ABCB1KCNH2 | |
| SCHEMBL6298480 | 0.83 | HRH1 (0.46) | TAAR1 | |
| SCHEMBL28858018 | 0.83 | TAAR1 (0.75) | TAAR1SIGMAR1AOC3ABCB1KCNH2 | |
| SCHEMBL29368559 | 0.82 | TAAR1 (0.62) | TAAR1SIGMAR1AOC3KCNH2MPO | |
| SCHEMBL144885 | 0.82 | TAAR1 (0.62) | TAAR1SIGMAR1AOC3KCNH2MPO | |
| SCHEMBL5610819 | 0.80 | TAAR1 (0.60) | TAAR1SIGMAR1AOC3ABCB1KCNH2 | |
| SCHEMBL5610284 | 0.80 | TAAR1 (0.60) | TAAR1SIGMAR1AOC3ABCB1KCNH2 | |
| SCHEMBL79353 | 0.80 | TAAR1 (0.60) | TAAR1SIGMAR1AOC3ABCB1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6420390-B1 | ANALGESIC AGENTS | AVENTIS PHARMACEUTICALS INC. | 2002-07-16 | — | — | US | disclosed |
| EP-0004835-B1 | ETHANOLAMINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR MEDICINAL USE | Aktiebolaget DRACO (SE) | 1981-10-14 | — | — | EP | disclosed |
| EP-0004835-A1 | Ethanolamine compounds, processes for their preparation, pharmaceutical preparations containing them and their medicinal use | Aktiebolaget DRACO (SE) | 1979-10-17 | — | — | EP | disclosed |