Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CCKBR | P32239 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18838355 | 1.00 | KCNH2 (0.44) | KCNH2CACNA1IOPRM1OPRD1OPRK1 | |
| SCHEMBL18859676 | 0.90 | KCNH2 (0.44) | KCNH2CACNA1INAMPTDRD2DRD3 | |
| SCHEMBL18838392 | 0.85 | KCNH2 (0.61) | KCNH2CACNA1IL3MBTL1GRM5 | |
| SCHEMBL29363863 | 0.85 | KCNH2 (0.61) | KCNH2CACNA1IL3MBTL1GRM5 | |
| SCHEMBL18838368 | 0.85 | CARM1 (0.46) | KCNH2CACNA1IOPRM1 | |
| SCHEMBL18838388 | 0.84 | KCNH2 (0.46) | KCNH2CACNA1IOPRM1OPRD1OPRK1 | |
| SCHEMBL18838353 | 0.83 | KCNH2 (0.48) | KCNH2CACNA1IOPRM1 | |
| SCHEMBL29364658 | 0.80 | KCNH2 (0.60) | KCNH2CACNA1IOPRM1OPRD1OPRK1 | |
| SCHEMBL18838420 | 0.80 | KCNH2 (0.60) | KCNH2CACNA1IOPRM1OPRD1OPRK1 | |
| SCHEMBL18838485 | 0.79 | KCNH2 (0.47) | KCNH2CACNA1INAMPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-108289886-B | Ion channel inhibiting compounds, pharmaceutical formulations and uses | 安华赛公司 | 2022-01-28 | — | — | CN | disclosed |