Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 10/20 | 0.37 |
| ▸ | CTSS | P25774 | 9/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL343493 | 0.78 | CTSS (0.38) | CTSKCTSSCTSLCTSBMAOB | |
| SCHEMBL343494 | 0.78 | CTSS (0.38) | CTSKCTSSCTSLCTSBMAOB | |
| Acetic Acid SCHEMBL6839802 | 0.72 | CYP2D6 (0.33) | CYP2D6 | |
| SCHEMBL3787140 | 0.71 | PLA2G10 (0.34) | CYP2D6 | |
| SCHEMBL16812743 | 0.70 | CTSS (0.38) | CTSKCTSSCTSLCTSB | |
| SCHEMBL7562972 | 0.70 | CYP2D6 (0.41) | CTSKCYP2D6 | |
| SCHEMBL782293 | 0.70 | CTSS (0.35) | CTSKCTSSCTSLCTSB | |
| SCHEMBL21175428 | 0.70 | CTSS (0.39) | CTSKCTSSCTSLCTSB | |
| SCHEMBL21175429 | 0.70 | CTSS (0.39) | CTSKCTSSCTSLCTSB | |
| SCHEMBL16405298 | 0.69 | CYP2D6 (0.41) | CTSKCTSSCTSLCTSBCYP2D6 |
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-2010011367-A2 | BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING | ILLINOIS INSTITUTE OF TECHNOLOGY (US) | 2010-01-28 | — | — | WO | disclosed |