Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD9 | Q9H8M2 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.32 |
| ▸ | NQO2 | P16083 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | STK17B | O94768 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TDP2 | O95551 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | SRC | P12931 | 2/20 | 0.30 |
| ▸ | OXTR | P30559 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL7458904 | 0.89 | PTGS2 (0.36) | BRD9PTGS2KDM4EMAPTCYP2C9 | |
| SCHEMBL7459099 | 0.84 | BRD9 (0.36) | BRD9MAPTCYP19A1NQO2CYP2C9 | |
| SCHEMBL7453460 | 0.81 | TP53 (0.35) | BRD9PTGS2MAPTCYP2C9PTGS1 | |
| SCHEMBL7460643 | 0.81 | PTGS2 (0.35) | BRD9PTGS2KDM4EMAPTCYP2C9 | |
| SCHEMBL7460298 | 0.81 | TNF (0.37) | BRD9PTGS2KDM4EMAPTCYP2C9 | |
| SCHEMBL7453732 | 0.79 | ALDH1A1 (0.33) | MAPT | |
| SCHEMBL7455505 | 0.79 | OXTR (0.36) | KDM4EMAPTOXTR | |
| SCHEMBL7462378 | 0.79 | BCAT1 (0.44) | PTGS2PTGS1 | |
| SCHEMBL7461247 | 0.78 | PTGS1 (0.33) | PTGS2KDM4EMAPTPTGS1TP53 | |
| SCHEMBL7457864 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1999014216-A1 | SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES | AMERICAN CYANAMID COMPANY (US) | 1999-03-25 | — | — | WO | disclosed |