Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 0.83 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.83 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30718424 | 0.95 | KCNH2 (0.83) | KCNH2CYP3A4CYP1A2CYP2C9TACR3 | |
| SCHEMBL30718420 | 0.94 | KCNH2 (0.84) | KCNH2CYP3A4PIK3CD | |
| SCHEMBL30718445 | 0.94 | KCNH2 (0.82) | KCNH2CYP3A4CYP1A2CYP2C9TACR3 | |
| Ganaplacide SCHEMBL1047381 | 0.91 | KCNH2 (1.00) | KCNH2CYP3A4CYP1A2CYP2C9TACR3 | |
| SCHEMBL1047763 | 0.91 | KCNH2 (0.82) | KCNH2CYP3A4CYP1A2CYP2C9TACR3 | |
| SCHEMBL1049907 | 0.90 | KCNH2 (1.00) | KCNH2CYP3A4CYP1A2CYP2C9TACR3 | |
| SCHEMBL30718360 | 0.90 | KCNH2 (1.00) | KCNH2CYP3A4CYP1A2CYP2C9TACR3 | |
| SCHEMBL30718433 | 0.90 | KCNH2 (0.77) | KCNH2CYP3A4CYP1A2CYP2C9TACR3 | |
| SCHEMBL1046955 | 0.90 | KCNH2 (0.80) | KCNH2CYP3A4CYP1A2CYP2C9TACR3 | |
| SCHEMBL30718354 | 0.90 | KCNH2 (0.86) | KCNH2CYP3A4CYP1A2CYP2C9TACR3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024006970-A2 | ANTIMALARIAL COMPOUNDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2024-01-04 | — | — | WO | claimed |
| WO-2024006971-A2 | ANTIMALARIAL COMPOUNDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2024-01-04 | — | — | WO | claimed |
| WO-2024006970-A2 | ANTIMALARIAL COMPOUNDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2024-01-04 | — | — | WO | disclosed |
| WO-2024006971-A2 | ANTIMALARIAL COMPOUNDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2024-01-04 | — | — | WO | disclosed |