Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.75 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21994284 | 0.89 | KCNH2 (0.78) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994243 | 0.88 | KCNH2 (0.74) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994246 | 0.88 | KCNH2 (0.74) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994254 | 0.86 | KCNH2 (0.74) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994239 | 0.86 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994286 | 0.82 | KCNH2 (0.68) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL22053368 | 0.81 | KCNH2 (0.79) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994242 | 0.81 | KCNH2 (0.67) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994256 | 0.79 | KCNH2 (0.65) | KCNH2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL21994241 | 0.78 | KCNH2 (1.00) | 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 | claimed |