Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 13/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | ACP3 | P15309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6380326 | 0.72 | SLC6A4 (0.49) | SLC6A4KCNH2KIF11ALDH1A1CYP1A2 | |
| SCHEMBL27684715 | 0.70 | KIF11 (0.39) | SLC6A4KIF11ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9209099 | 0.70 | KIF11 (0.40) | SLC6A4KCNH2KIF11ALDH1A1CYP1A2 | |
| SCHEMBL5013836 | 0.69 | CYP2C19 (0.39) | SLC6A4KCNH2KIF11ALDH1A1CYP1A2 | |
| SCHEMBL7530853 | 0.68 | SLC6A4 (0.49) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8019682 | 0.67 | ACP3 (0.39) | KIF11ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5010699 | 0.67 | SLC6A4 (0.64) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5010133 | 0.66 | SLC6A4 (0.58) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14315573 | 0.65 | KIF11 (0.43) | SLC6A4KIF11ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL27633088 | 0.65 | ACP3 (0.43) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 |
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-1265867-B1 | MALONIC ACID DERIVATES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS INHIBITOR OF FACTOR XA ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SANOFI AVENTIS DEUTSCHLAND (DE) | 2005-12-28 | — | — | EP | disclosed |