Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 12/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 4/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3385092 | 1.00 | CTSK (0.51) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL18055004 | 0.82 | CA1 (0.67) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL3375583 | 0.82 | CA1 (0.67) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL31127632 | 0.81 | CTSK (0.54) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL73696 | 0.80 | CTSK (0.53) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL73697 | 0.80 | CTSK (0.53) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL75827 | 0.80 | CTSK (0.53) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL24427425 | 0.79 | CA1 (0.53) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL56783 | 0.79 | CA1 (0.53) | CTSKCA1CA2CA7CYP2D6 | |
| SCHEMBL56671 | 0.79 | CA1 (0.53) | CTSKCA1CA2CA7CYP2D6 |
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-2012000608-A2 | NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES | GLUESENKAMP KARL-HEINZ (DE) | 2012-01-05 | — | — | WO | disclosed |