Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 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 SCHEMBL27766288 | 0.81 | TDP1 (0.46) | TDP1ALDH1A1HTTSIGMAR1OPRD1 | |
| Tert-Butyl Formate SCHEMBL27600872 | 0.81 | TDP1 (0.42) | TDP1ALDH1A1SIGMAR1 | |
| Tert-Butyl Formate SCHEMBL27958701 | 0.80 | TDP1 (0.45) | TDP1ALDH1A1HTTSIGMAR1PDE4A | |
| SCHEMBL5541717 | 0.80 | ALDH1A1 (0.38) | TDP1ALDH1A1HTTSIGMAR1PDE4A | |
| Tert-Butyl Formate SCHEMBL27998227 | 0.79 | TDP1 (0.43) | TDP1ALDH1A1SIGMAR1 | |
| SCHEMBL5652 | 0.78 | POLB (0.38) | TDP1ALDH1A1HTTHPGDSSIGMAR1 | |
| SCHEMBL2102695 | 0.78 | POLB (0.38) | TDP1ALDH1A1HTTHPGDSSIGMAR1 | |
| Tert-Butyl Formate SCHEMBL27997975 | 0.77 | TDP1 (0.42) | TDP1ALDH1A1SIGMAR1 | |
| Tert-Butyl Formate SCHEMBL28025116 | 0.77 | TDP1 (0.42) | TDP1ALDH1A1SIGMAR1 | |
| Tert-Butyl Formate SCHEMBL27718748 | 0.77 | TDP1 (0.42) | TDP1ALDH1A1SIGMAR1 |
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 5 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-106232584-B | As 6 inhibitor of histone deacetylase new compound and include its pharmaceutical composition | 株式会社钟根堂 | 2019-06-28 | — | — | CN | disclosed |
| CN-106232584-A | As the new compound of histone deacetylase 6 inhibitor and the pharmaceutical composition comprising it | 株式会社钟根堂 | 2016-12-14 | — | — | CN | disclosed |
| CN-106187838-A | Arylalkyne hydrocarbon compound and its production and use | 广东东阳光药业有限公司 | 2016-12-07 | — | — | 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 |