Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL538591 | 1.00 | — | — | |
| SCHEMBL26403660 | 1.00 | CTSL (0.34) | CTSLCTSBCTSKCA1CA2 | |
| SCHEMBL22721980 | 1.00 | CTSL (0.34) | CTSLCTSBCTSKCA1CA2 | |
| SCHEMBL3935505 | 0.97 | — | — | |
| SCHEMBL20819767 | 0.91 | — | — | |
| SCHEMBL2890078 | 0.84 | — | — | |
| SCHEMBL21100055 | 0.84 | — | — | |
| SCHEMBL4777695 | 0.84 | — | — | |
| Hydrogen Sulfide SCHEMBL27852855 | 0.81 | — | — | |
| SCHEMBL20432927 | 0.81 | CTSL (0.40) | CTSLCTSBCTSK |
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 |
|---|---|---|---|---|---|---|---|
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |