Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL52466 | 0.82 | CA12 (0.35) | TDP1DGAT1CYP2D6CYP2C19CA12 | |
| SCHEMBL6050243 | 0.80 | CA12 (0.34) | TDP1DGAT1CYP2D6CA12CA14 | |
| SCHEMBL1115385 | 0.80 | TDP1 (0.44) | TDP1DGAT1CYP2D6CA12CA14 | |
| SCHEMBL2052655 | 0.80 | GAA (0.42) | CYP1A2CYP2C9CYP2C19HTTL3MBTL1 | |
| SCHEMBL17694764 | 0.79 | GAA (0.50) | CYP1A2CYP2C9CYP2C19HTTGAA | |
| SCHEMBL6050247 | 0.79 | CYP2D6 (0.38) | TDP1DGAT1CYP2D6CYP2C19CA12 | |
| SCHEMBL9683576 | 0.78 | DGAT1 (0.37) | TDP1DGAT1CYP2D6CA12CA14 | |
| Hydrochloric Acid SCHEMBL16268161 | 0.78 | GAA (0.48) | CYP1A2CYP2C9CYP2C19HTTGAA | |
| SCHEMBL27371022 | 0.77 | DGAT1 (0.35) | TDP1DGAT1CYP2D6CA12CA14 | |
| SCHEMBL7442333 | 0.76 | GAA (0.42) | CYP1A2CYP2C9CYP2C19HTTL3MBTL1 |
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-2542547-B1 | COMPOUNDS, COMPOSITIONS, FORMULATIONS AND THEIR USES IN THE TREATMENT OF DISEASES RELATED TO COPPER RETENTION OR HEPATIC DISORDERS | KRISANI BIOSCIENCE (P) LTD (IN) | 2018-01-24 | — | — | EP | disclosed |