Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | AOC2 | O75106 | 5/20 | 0.39 |
| ▸ | MAOA | P21397 | 5/20 | 0.39 |
| ▸ | MAOB | P27338 | 5/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8425913 | 0.83 | HRH3 (0.43) | HRH3SIGMAR1AOC2MAOAMAOB | |
| SCHEMBL8426656 | 0.83 | CA2 (0.51) | SIGMAR1CA2HTR1AHTR1DADRA2A | |
| SCHEMBL29698783 | 0.83 | CA2 (0.51) | SIGMAR1CA2HTR1AHTR1DADRA2A | |
| SCHEMBL6748590 | 0.77 | MAOB (0.51) | SIGMAR1MAOBHTR1A | |
| SCHEMBL434338 | 0.76 | HRH3 (0.49) | HRH3AOC2MAOAMAOBDAO | |
| SCHEMBL6723015 | 0.76 | HRH3 (0.53) | HRH3SIGMAR1AOC2MAOAMAOB | |
| SCHEMBL10736602 | 0.76 | HRH3 (0.49) | HRH3SIGMAR1AOC2MAOAMAOB | |
| SCHEMBL4526675 | 0.76 | HRH3 (0.49) | HRH3SIGMAR1AOC2MAOAMAOB | |
| SCHEMBL718265 | 0.76 | HRH3 (0.49) | HRH3AOC2MAOAMAOBDAO | |
| SCHEMBL9935891 | 0.76 | HRH3 (0.49) | HRH3SIGMAR1AOC2MAOAMAOB |
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-0794183-B1 | (2,3-Dihydro-5-benzofuranyl)-acetonitrile | BAYER AG (DE) | 2000-06-14 | — | — | EP | disclosed |
| EP-0794183-A1 | (2,3-Dihydro-5-benzofuranyl)-acetonitrile | BAYER AG (DE) | 1997-09-10 | — | — | EP | disclosed |