Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 19/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 19/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MBTPS1 | Q14703 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1221462 | 1.00 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL28246290 | 1.00 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL18704813 | 0.95 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL2875169 | 0.90 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL17786300 | 0.90 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL3818321 | 0.90 | SLC6A4 (0.44) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL1920029 | 0.85 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL15667928 | 0.82 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL1840824 | 0.82 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL966683 | 0.80 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021111311-A2 | NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE | 삼진제약주식회사 | 2021-06-10 | — | — | WO | disclosed |
| EP-2089354-A1 | NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Korea Research Institute Of Chemical Technology (KR) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008054154-A1 | NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2008-05-08 | — | — | WO | disclosed |