Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11927520 | 1.00 | HRH3 (0.33) | HRH3CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2600246 | 0.79 | PDK1 (0.51) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL16206588 | 0.79 | PDK1 (0.51) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL22049081 | 0.79 | PDK1 (0.36) | HRH3PDK1MAP3K5 | |
| Hydrochloric Acid SCHEMBL1119085 | 0.78 | PDK1 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL20344847 | 0.75 | PDK1 (0.33) | PDK1 | |
| SCHEMBL13887630 | 0.75 | PDK1 (0.36) | HRH3PDK1KMT2AMAP3K5 | |
| SCHEMBL18909926 | 0.75 | PDK1 (0.36) | HRH3PDK1KMT2AMAP3K5 | |
| SCHEMBL19865156 | 0.75 | PDK1 (0.33) | PDK1 | |
| SCHEMBL16160608 | 0.73 | MAP4K4 (0.37) | HRH3CYP2D6SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3421465-B1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF | BEIJING TIDE PHARMACEUTICAL CO LTD (CN) | 2022-10-26 | — | — | EP | disclosed |