Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 7/20 | 0.52 |
| ▸ | CTSK | P43235 | 6/20 | 0.52 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.49 |
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL479104 | 0.85 | CTSS (0.67) | CTSSCTSKKLK5NOS3NOS1 | |
| SCHEMBL479103 | 0.85 | CTSS (0.67) | CTSSCTSKKLK5NOS3NOS1 | |
| SCHEMBL25382593 | 0.85 | CTSS (0.67) | CTSSCTSKKLK5NOS3NOS1 | |
| SCHEMBL30825582 | 0.82 | TACR1 (0.49) | CTSSCTSKKLK5LCKITGA4 | |
| SCHEMBL29371811 | 0.82 | KLK5 (0.52) | CTSSCTSKKLK5LCKPTPN1 | |
| SCHEMBL7039422 | 0.82 | KLK5 (0.52) | CTSSCTSKKLK5LCKPTPN1 | |
| SCHEMBL20439477 | 0.82 | KLK5 (0.52) | CTSSCTSKKLK5LCKPTPN1 | |
| SCHEMBL8581787 | 0.81 | MMEL1 (0.44) | CTSSCTSKACE | |
| SCHEMBL30825581 | 0.81 | TACR1 (0.48) | CTSSCTSKKLK5NOS3NOS1 | |
| SCHEMBL3013717 | 0.81 | LCK (0.64) | CTSSCTSKKLK5LCKACE |
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-118702627-A | CD73 small molecule inhibitor, pharmaceutical composition and application thereof | 深圳市新樾生物科技有限公司 | 2024-09-27 | — | — | CN | disclosed |