Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28458593 | 0.82 | TSHR (0.33) | MAPTTSHRGAA | |
| SCHEMBL17560452 | 0.73 | SETD7 (0.47) | SMN1; SMN2MAPT | |
| SCHEMBL17560451 | 0.73 | SETD7 (0.47) | SMN1; SMN2MAPT | |
| SCHEMBL23876834 | 0.73 | PIK3CD (0.38) | PIK3CDSMN1; SMN2MAPTTSHRGAA | |
| SCHEMBL17589229 | 0.73 | PIK3CD (0.38) | PIK3CDSMN1; SMN2MAPTTSHRGAA | |
| SCHEMBL28827116 | 0.71 | — | — | |
| SCHEMBL318016 | 0.71 | — | — | |
| SCHEMBL24368980 | 0.71 | PIK3CD (0.41) | PIK3CDSMN1; SMN2MAPTTSHRGAA | |
| SCHEMBL23187990 | 0.71 | PIK3CD (0.41) | PIK3CDSMN1; SMN2MAPTTSHRGAA | |
| SCHEMBL18346746 | 0.71 | PIK3CD (0.41) | PIK3CDSMN1; SMN2MAPTTSHRGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110088098-A | Quinazolinones PARP-1 inhibitor and preparation method thereof, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2019-08-02 | — | — | CN | disclosed |
| CN-105461697-A | Quinazolinone PARP-1 inhibitors, medicinal composition containing inhibitors, and antitumor use of inhibitors | INST MATERIA MEDICA CAMS | 2016-04-06 | — | — | CN | disclosed |
| CN-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |