Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 17/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 14/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8335837 | 0.82 | BCAT1 (0.42) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8693580 | 0.77 | BCAT1 (0.44) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8693417 | 0.77 | MAPT (0.32) | — | |
| SCHEMBL6966995 | 0.75 | BCAT1 (0.50) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8335347 | 0.74 | BCAT1 (0.46) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8334369 | 0.72 | BCAT1 (0.41) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8554640 | 0.72 | BCAT1 (0.41) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9379682 | 0.71 | BCAT1 (0.54) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8688465 | 0.71 | MAPT (0.32) | — | |
| SCHEMBL8688371 | 0.70 | ALDH1A1 (0.44) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5753595-A | Herbicidal 3-(substituted benzoxazol-7-yl) and 3-(Substituted benzothiazol-7-yl)-1-substituted-6-trifluoromethyl-2 4-(1h 3h)pyrimidinediones | FMC CORPORATION (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1997008170-A1 | HERBICIDAL 3-(SUBSTITUTED BENZOXAZOL-7-YL) AND 3-(SUBSTITUTED BENZOTHIAZOL-7-YL)-1-SUBSTITUTED-6-TRIFLUOROMETHYL-2,4-(1H,3H)PYRIMIDINEDIONES | FMC CORPORATION (US) | 1997-03-06 | — | — | WO | disclosed |