Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 3/20 | 0.50 |
| ▸ | MBTPS1 | Q14703 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
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 SCHEMBL6245700 | 0.99 | CTSD (0.49) | CTSDMBTPS1HDAC3HDAC8HDAC6 | |
| SCHEMBL8312181 | 0.89 | SLC6A4 (0.46) | CTSDMBTPS1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL6242392 | 0.88 | SLC6A4 (0.45) | CTSDMBTPS1SLC6A4KCNH2 | |
| SCHEMBL14264087 | 0.87 | CTSD (0.53) | CTSDMBTPS1HDAC3HDAC8HDAC6 | |
| SCHEMBL14264085 | 0.87 | NSD2 (0.61) | CTSDMBTPS1SLC6A4NSD2 | |
| SCHEMBL8267159 | 0.87 | NFKB1 (0.43) | CTSDMBTPS1SLC6A4KCNH2 | |
| SCHEMBL5016028 | 0.85 | CTSD (0.47) | CTSDMBTPS1SLC6A4KCNH2 | |
| SCHEMBL8291862 | 0.83 | CTSD (0.49) | CTSD | |
| SCHEMBL6245800 | 0.80 | CTSD (0.77) | CTSD | |
| SCHEMBL6244423 | 0.80 | GPR119 (0.55) | CTSD |
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-2005058822-A1 | SUBSTITUTED AMINO-CYCLOALKANES | ACTELION PHARMACEUTICALS LTD (CH) | 2005-06-30 | — | — | WO | disclosed |