Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.41 |
| ▸ | CTSK | P43235 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CTSA | P10619 | 2/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29364123 | 1.00 | CTSS (0.41) | CTSSCTSKKDM4EALDH1A1GAA | |
| SCHEMBL3815433 | 1.00 | CTSS (0.41) | CTSSCTSKKDM4EALDH1A1GAA | |
| SCHEMBL3762203 | 0.86 | CTSS (0.43) | CTSSCTSKALDH1A1AAK1TRPA1 | |
| SCHEMBL30765251 | 0.86 | CTSS (0.43) | CTSSCTSKALDH1A1AAK1TRPA1 | |
| SCHEMBL17395943 | 0.85 | CTSS (0.49) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL21777294 | 0.85 | CTSS (0.49) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL265969 | 0.85 | CTSS (0.49) | CTSSCTSKITGA4ITGB7ACE | |
| SCHEMBL23414163 | 0.84 | CTSS (0.40) | CTSSCTSKKDM4EALDH1A1GAA | |
| SCHEMBL3822263 | 0.83 | CTSS (0.43) | CTSSCTSKAAK1TRPA1ACE | |
| SCHEMBL29571131 | 0.83 | CTSS (0.43) | CTSSCTSKAAK1TRPA1ACE |
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-116693518-A | Synthesis and application of EGFR inhibitor | 江南大学 | 2023-09-05 | — | — | CN | disclosed |