Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 18/20 | 0.49 |
| ▸ | CTSK | P43235 | 16/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21515090 | 1.00 | CTSS (0.49) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL21494626 | 0.89 | CTSS (0.53) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL21494622 | 0.89 | CTSS (0.53) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL19944850 | 0.84 | CTSS (0.55) | CTSSCTSKCTSLCTSB | |
| SCHEMBL28505707 | 0.82 | CTSS (0.55) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL31725743 | 0.81 | CTSK (0.43) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL24073184 | 0.81 | BCHE (0.51) | CTSSCTSKCAPN1 | |
| SCHEMBL30420722 | 0.79 | CYP1A2 (0.44) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL23849012 | 0.79 | CYP1A2 (0.44) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL31725992 | 0.78 | CAPN1 (0.44) | CTSSCTSKCAPN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112218858-A | 2, 6-diamino-3, 4-dihydropyrimidin-4-one derivatives and their use in therapy | 托马斯·黑勒戴药物研究基金会 | 2021-01-12 | — | — | CN | disclosed |