Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 13/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.91 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1049907 | 1.00 | KCNH2 (1.00) | KCNH2CYP3A4PTGDR2MAPTMEN1 | |
| Ganaplacide SCHEMBL1047381 | 0.95 | KCNH2 (1.00) | KCNH2CYP3A4PTGDR2CYP1A2CYP2C9 | |
| SCHEMBL30718355 | 0.92 | KCNH2 (0.85) | KCNH2CYP3A4PTGDR2CNR1CYP1A2 | |
| SCHEMBL15313628 | 0.92 | KCNH2 (0.93) | KCNH2CYP3A4MAPTCYP1A2CYP2C9 | |
| SCHEMBL15313630 | 0.92 | KCNH2 (0.85) | KCNH2CYP3A4PTGDR2MAPTLMNA | |
| SCHEMBL1050138 | 0.92 | KCNH2 (0.93) | KCNH2CYP3A4MAPTCYP1A2CYP2C9 | |
| SCHEMBL1000968 | 0.91 | KCNH2 (0.84) | KCNH2CYP3A4MAPTLMNATP53 | |
| SCHEMBL30718420 | 0.91 | KCNH2 (0.84) | KCNH2CYP3A4MAPTTP53 | |
| SCHEMBL30718393 | 0.91 | KCNH2 (0.91) | KCNH2CYP3A4SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL2068565 | 0.91 | KCNH2 (0.91) | KCNH2CYP3A4PTGDR2CYP1A2CYP2C9 |
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 |