Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28058842 | 1.00 | TDP1 (0.36) | TDP1TAAR1HTR2AHTR2CKCNH2 | |
| Tert-Butyl Formate SCHEMBL28058930 | 1.00 | TDP1 (0.36) | TDP1TAAR1HTR2AHTR2CKCNH2 | |
| Tert-Butyl Formate SCHEMBL28055329 | 0.89 | TDP1 (0.38) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28055330 | 0.89 | TDP1 (0.38) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28776244 | 0.88 | TDP1 (0.35) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28095476 | 0.88 | TDP1 (0.35) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28776243 | 0.88 | TDP1 (0.35) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28055267 | 0.86 | TDP1 (0.34) | TDP1HTR2AHTR2CKCNH2 | |
| Tert-Butyl Formate SCHEMBL28055268 | 0.86 | TDP1 (0.34) | TDP1HTR2AHTR2CKCNH2 | |
| Tert-Butyl Formate SCHEMBL28289024 | 0.86 | TDP1 (0.34) | TDP1HTR2AHTR2CKCNH2 |
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-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 |