Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 2/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TLR2 | O60603 | 3/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824581 | 0.85 | ALDH1A1 (0.47) | ALDH1A1WDR5KDM4ELMNA | |
| SCHEMBL9764390 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19WDR5KDM4E | |
| SCHEMBL9491717 | 0.76 | ABCC1 (0.39) | ALDH1A1KDM4EGAALMNANPC1 | |
| SCHEMBL10882564 | 0.76 | MAPT (0.38) | ALDH1A1GAANPC1MAPTHPGD | |
| SCHEMBL9419236 | 0.73 | RAB9A (0.35) | KDM4EGAALMNANPC1MAPT | |
| SCHEMBL10650456 | 0.72 | CA12 (0.39) | ALDH1A1CYP1A2CYP2C19WDR5KDM4E | |
| SCHEMBL8873493 | 0.72 | ALDH1A1 (0.30) | ALDH1A1WDR5 | |
| SCHEMBL8931503 | 0.71 | CNR2 (0.33) | — | |
| SCHEMBL8807608 | 0.70 | DHODH (0.35) | ALDH1A1CYP1A2CYP3A4CYP2C19GAA | |
| SCHEMBL8807602 | 0.70 | DHODH (0.35) | ALDH1A1CYP1A2CYP3A4CYP2C19GAA |
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-0273417-B1 | THIADIAZABICYCLONONANE DERIVATIVES AND HERBICIDAL COMPOSITIONS | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1991-08-21 | — | — | EP | disclosed |
| US-4885023-A | EFFECTIVE IN LOW DOSE AGAINST PADDY FIELD, UPLAND FIELD AND PERENNIAL WEEDS; NONPHYTOTOXIC | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1989-12-05 | — | — | US | disclosed |
| EP-0273417-A1 | Thiadiazabicyclononane derivatives and herbicidal compositions | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1988-07-06 | — | — | EP | disclosed |