Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30990366 | 0.95 | PDCD1 (0.44) | PDCD1CD274HRH3CCR3HRH2 | |
| SCHEMBL166996 | 0.90 | PDCD1 (0.40) | PDCD1CD274HRH3SLC6A2SLC6A3 | |
| SCHEMBL21068738 | 0.90 | TP53 (0.44) | SLC6A2SLC6A3CCR3ADRA1DADRA1A | |
| SCHEMBL166995 | 0.90 | PDCD1 (0.40) | PDCD1CD274HRH3SLC6A2SLC6A3 | |
| SCHEMBL167048 | 0.90 | PDCD1 (0.40) | PDCD1CD274HRH3SLC6A2SLC6A3 | |
| SCHEMBL21815092 | 0.78 | GNAI3 (0.46) | SLC6A2SLC6A3CCR3ADRA1DADRA1A | |
| SCHEMBL28960041 | 0.78 | PDCD1 (0.49) | PDCD1CD274HRH3HRH2HRH1 | |
| SCHEMBL12291008 | 0.77 | CARM1 (0.44) | PDCD1CD274HRH3HRH2HRH1 | |
| SCHEMBL12291015 | 0.77 | CARM1 (0.44) | PDCD1CD274HRH3HRH2HRH1 | |
| SCHEMBL18226717 | 0.76 | BDKRB1 (0.46) | TP53SMN1; SMN2ALDH1A1EPHX1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024140850-A1 | PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF | 苏州必扬医药科技有限公司 | 2024-07-04 | — | — | WO | disclosed |