Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9372164 | 1.00 | CYP1A2 (0.32) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9824441 | 0.90 | ALDH1A1 (0.36) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9824446 | 0.90 | ALDH1A1 (0.36) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9824119 | 0.89 | GAA (0.40) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9824127 | 0.89 | GAA (0.40) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9824588 | 0.87 | KMT2A (0.38) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9824583 | 0.87 | KMT2A (0.38) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9375067 | 0.85 | POLB (0.31) | GAA | |
| SCHEMBL9375069 | 0.85 | POLB (0.31) | GAA | |
| SCHEMBL9377192 | 0.84 | CDC25B (0.39) | TSHRALDH1A1ALOX15HSD17B10GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0312064-B1 | Thiadiazabicyclononane derivatives and herbicidal compositions | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1994-05-04 | — | — | EP | disclosed |