Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7454228 | 0.91 | MAOB (0.43) | MAOAMAOBALDH1A1MCHR1 | |
| SCHEMBL7463814 | 0.90 | PPARG (0.35) | MAOAMAOBMCHR1 | |
| SCHEMBL7465742 | 0.89 | APP (0.33) | MAOAMAOBMCHR1 | |
| SCHEMBL7458493 | 0.88 | HTR2C (0.39) | MAOAMAOBGRM5MCHR1 | |
| SCHEMBL7457048 | 0.88 | MAOB (0.42) | MAOAMAOBALDH1A1 | |
| SCHEMBL7457982 | 0.84 | MCHR1 (0.30) | MCHR1 | |
| SCHEMBL7466444 | 0.83 | HTR2C (0.40) | MCHR1KCNH2 | |
| SCHEMBL7454776 | 0.82 | MCHR1 (0.31) | MCHR1 | |
| SCHEMBL7467618 | 0.82 | — | — | |
| SCHEMBL7468072 | 0.82 | — | — |
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-0908457-B1 | 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents | BASF AG (DE) | 2002-11-13 | — | — | EP | disclosed |
| EP-0908457-A1 | 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents | American Cyanamid Company (US) | 1999-04-14 | — | — | EP | disclosed |