Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | CTSD | P07339 | 3/20 | 0.45 |
| ▸ | MBTPS1 | Q14703 | 2/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6242392 | 0.99 | SLC6A4 (0.45) | SLC6A4KCNH2SLC6A2SLC6A3CTSD | |
| SCHEMBL8291857 | 0.89 | CTSD (0.50) | SLC6A4KCNH2CTSDMBTPS1 | |
| Hydrochloric Acid SCHEMBL6245700 | 0.88 | CTSD (0.49) | SLC6A4KCNH2CTSDMBTPS1 | |
| SCHEMBL6244829 | 0.82 | CTSD (0.69) | CTSD | |
| SCHEMBL6245578 | 0.81 | GPR119 (0.49) | CTSD | |
| SCHEMBL14264087 | 0.81 | CTSD (0.53) | CTSDMBTPS1 | |
| SCHEMBL14264085 | 0.81 | NSD2 (0.61) | SLC6A4SLC6A2CTSDMBTPS1 | |
| SCHEMBL5016028 | 0.79 | CTSD (0.47) | SLC6A4KCNH2CTSDMBTPS1 | |
| SCHEMBL8291862 | 0.77 | CTSD (0.49) | CTSD | |
| SCHEMBL8267159 | 0.77 | NFKB1 (0.43) | SLC6A4KCNH2SLC6A2SLC6A3CTSD |
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-2005019176-A1 | SUBSTITUTED AMINO-AZA-CYCLOHEXANES | ACTELION PHARMACEUTICALS LTD (CH) | 2005-03-03 | — | — | WO | disclosed |