Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.31 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.31 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2123154 | 0.89 | TDP1 (0.50) | TDP1ALDH1A1CA2MMP1MMP2 | |
| SCHEMBL15981255 | 0.77 | — | — | |
| SCHEMBL6847856 | 0.72 | ALDH1A1 (0.36) | TDP1ALDH1A1CA2FFAR1 | |
| SCHEMBL9303765 | 0.71 | ALDH1A1 (0.39) | TDP1ALDH1A1CA2FFAR1 | |
| SCHEMBL13063487 | 0.70 | — | — | |
| SCHEMBL1564422 | 0.70 | — | — | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL7036248 | 0.70 | SLC22A6 (0.43) | TDP1FFAR1CACNA2D1CACNB3CACNA1C | |
| SCHEMBL2122845 | 0.70 | ALDH1A1 (0.37) | TDP1ALDH1A1CA2FFAR1 | |
| 3-Methylbutanoic Acid SCHEMBL2430870 | 0.69 | — | — | |
| SCHEMBL7733855 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1036076-A1 | NOVEL COMPOUNDS | AstraZeneca UK Limited (GB) | 2000-09-20 | — | — | EP | disclosed |
| WO-1999029695-A1 | NOVEL COMPOUNDS | ASTRAZENECA UK LIMITED (GB) | 1999-06-17 | — | — | WO | disclosed |