Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 7/20 | 0.35 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
| ▸ | COMT | P21964 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7459593 | 0.86 | HSP90AA1 (0.34) | NPC1RAB9AMITFHSP90AA1 | |
| SCHEMBL7458121 | 0.84 | ESR1 (0.46) | ESR1ESR2NPC1RAB9AMITF | |
| SCHEMBL7455649 | 0.80 | NPC1 (0.33) | NPC1RAB9AMITF | |
| SCHEMBL7460219 | 0.77 | MCL1 (0.36) | MEN1KMT2A | |
| SCHEMBL7462094 | 0.76 | ALDH2 (0.34) | MEN1KMT2A | |
| SCHEMBL7460214 | 0.75 | PTGDR2 (0.36) | — | |
| SCHEMBL7462790 | 0.74 | — | — | |
| SCHEMBL7462086 | 0.73 | PPARG (0.35) | — | |
| SCHEMBL7458869 | 0.73 | PTGS2 (0.38) | ESR1ESR2NPC1RAB9A | |
| SCHEMBL7467907 | 0.72 | — | — |
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 |