Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24581167 | 0.89 | DEGS1 (0.36) | ALDH1A1ATML3MBTL1NPSR1 | |
| SCHEMBL22079316 | 0.75 | AKT1 (0.37) | — | |
| SCHEMBL22079285 | 0.71 | RET (0.36) | — | |
| SCHEMBL4317138 | 0.70 | NNMT (0.46) | — | |
| SCHEMBL24581049 | 0.70 | GAA (0.47) | ALDH1A1 | |
| SCHEMBL24076553 | 0.65 | HDAC6 (0.40) | ALDH1A1 | |
| SCHEMBL4550808 | 0.65 | PDE10A (0.39) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2716012 | 0.64 | PDE10A (0.39) | ALDH1A1 | |
| SCHEMBL18266146 | 0.64 | PDE2A (0.39) | ALDH1A1 | |
| SCHEMBL4342752 | 0.63 | ADRB2 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020114474-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 苏州信诺维医药科技有限公司 | 2020-06-11 | — | — | WO | disclosed |
| WO-2020035065-A1 | PYRAZOLE DERIVATIVE AS RET INHIBITOR | 南京明德新药研发有限公司 | 2020-02-20 | — | — | WO | disclosed |