Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.40 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22051923 | 0.89 | KCNH2 (0.72) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994240 | 0.81 | KCNH2 (0.84) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994239 | 0.80 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL22053362 | 0.79 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994241 | 0.79 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL22052985 | 0.78 | KCNH2 (0.85) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994258 | 0.78 | KCNH2 (0.85) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994285 | 0.74 | KCNH2 (0.74) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL22051922 | 0.73 | KCNH2 (0.74) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994262 | 0.73 | KCNH2 (0.72) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020107189-A1 | PYRROLIDINE COMPOUNDS FOR THE TREATMENT OF MALARIA | LEGION PHARMA CO. LTD (CN) | 2020-06-04 | — | — | WO | disclosed |