Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 12/20 | 0.51 |
| ▸ | CTSK | P43235 | 11/20 | 0.51 |
| ▸ | MC4R | P32245 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 4/20 | 0.47 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL30133697 | 1.00 | CTSS (0.51) | CTSSCTSKMC4RCTSLCTSB | |
| SCHEMBL1350266 | 0.86 | ACE (0.57) | CTSSCTSKMC4RCTSLCTSB | |
| SCHEMBL29908039 | 0.86 | ACE (0.57) | CTSSCTSKMC4RCTSLCTSB | |
| SCHEMBL1350265 | 0.86 | ACE (0.57) | CTSSCTSKMC4RCTSLCTSB | |
| SCHEMBL3485116 | 0.86 | ACE (0.57) | CTSSCTSKMC4RCTSLCTSB | |
| SCHEMBL25217471 | 0.85 | KLK5 (0.52) | CTSSCTSKMC4RCTSLCTSB | |
| SCHEMBL25270309 | 0.85 | KLK5 (0.52) | CTSSCTSKMC4RCTSLCTSB | |
| SCHEMBL25255207 | 0.80 | JAK3 (0.54) | CTSSCTSKMC4RCTSLCTSB | |
| SCHEMBL25255205 | 0.80 | JAK3 (0.54) | CTSSCTSKMC4RCTSLCTSB | |
| SCHEMBL29168115 | 0.80 | CTSL (0.69) | CTSSCTSKCTSLCTSBSCN9A |
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-117529476-A | Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments | 亚飞络思制药公司 | 2024-02-06 | — | — | CN | disclosed |