Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 4/20 | 0.58 |
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.50 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.50 |
| ▸ | CACNB1 | Q02641 | 4/20 | 0.50 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL26698301 | 0.87 | CHRM3 (0.61) | CHRM3CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL4176732 | 0.86 | HTR1E (0.51) | CHRM3MEN1KMT2ALMNAMAPT | |
| SCHEMBL22188704 | 0.86 | HTR1E (0.51) | CHRM3MEN1KMT2ALMNAMAPT | |
| SCHEMBL6988817 | 0.84 | HRH3 (0.49) | CHRM3CYP2D6CHRM1KCNH2HRH3 | |
| SCHEMBL4866289 | 0.83 | HTR1E (0.61) | CHRM3CHRM2HTR1AADRA2ACYP2D6 | |
| SCHEMBL5049598 | 0.83 | HTR1E (0.57) | CHRM3CHRM2HTR1AADRA2ACYP2D6 | |
| SCHEMBL15797674 | 0.83 | CHRM1 (0.44) | CHRM3CHRM1KCNH2KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL5051899 | 0.81 | HTR1E (0.59) | CHRM3CHRM2HTR1AADRA2ACYP2D6 | |
| SCHEMBL5051927 | 0.81 | MEN1 (0.59) | CHRM3CHRM2HTR1AADRA2ACYP2D6 | |
| SCHEMBL14453324 | 0.81 | MEN1 (0.59) | CHRM3CHRM2HTR1AADRA2ACYP2D6 |
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-2023226965-A1 | ROCK INHIBITORS AND USES THEREOF | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) | 2023-11-30 | — | — | WO | disclosed |