Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 17/20 | 0.43 |
| ▸ | BCAT2 | O15382 | 14/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7574968 | 0.91 | BCAT1 (0.43) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL17240320 | 0.80 | TRAP1 (0.36) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL149286 | 0.79 | USP2 (0.32) | USP2TSHR | |
| SCHEMBL8335837 | 0.76 | BCAT1 (0.42) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL6966995 | 0.76 | BCAT1 (0.50) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8111967 | 0.76 | BCAT1 (0.44) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL4782024 | 0.76 | TRAP1 (0.38) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8335347 | 0.75 | BCAT1 (0.46) | BCAT1BCAT2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL7666616 | 0.73 | CHEK1 (0.31) | — | |
| SCHEMBL8688523 | 0.73 | BCAT1 (0.42) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002056681-A2 | NOVEL INTERMEDIATES AND PROCESS TO PYRIMIDINEDIONE HERBICIDES | FMC CORPORATION (US) | 2002-07-25 | — | — | WO | disclosed |