Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL12524843 | 0.89 | MITF (0.34) | HTR2AHTR2CMITFL3MBTL1CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL28721929 | 0.88 | PKM (0.36) | PKMHTR2AHTR2CMITFDPP8 | |
| Trifluoroacetic Acid SCHEMBL28320679 | 0.88 | PKM (0.36) | PKMHTR2AHTR2CMITFDPP8 | |
| Trifluoroacetic Acid SCHEMBL29568202 | 0.88 | PKM (0.36) | PKMHTR2AHTR2CMITFDPP8 | |
| Hydrochloric Acid SCHEMBL28320836 | 0.88 | MITF (0.33) | HTR2AHTR2CMITFL3MBTL1CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL28320673 | 0.87 | MITF (0.38) | PKMHTR2AHTR2CMITFDPP8 | |
| Trifluoroacetic Acid SCHEMBL28719798 | 0.83 | ATM (0.36) | PKMHTR2AHTR2CMITFDPP8 | |
| Trifluoroacetic Acid SCHEMBL28320738 | 0.83 | ATM (0.36) | PKMHTR2AHTR2CMITFDPP8 | |
| Trifluoroacetic Acid SCHEMBL28719832 | 0.82 | PKM (0.36) | PKMHTR2AHTR2CDPP8DPP7 | |
| Trifluoroacetic Acid SCHEMBL28321793 | 0.82 | PKM (0.36) | PKMHTR2AHTR2CDPP8DPP7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110088098-B | Quinazolinone PARP-1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-04-15 | — | — | CN | disclosed |
| 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 |