Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 SCHEMBL28297830 | 0.95 | HRH3 (0.42) | TDP1HRH3ALDH1A1MAOB | |
| Tert-Butyl Formate SCHEMBL27725494 | 0.90 | TDP1 (0.45) | TDP1HRH3SIGMAR1ALDH1A1MAOB | |
| Tert-Butyl Formate SCHEMBL27722002 | 0.84 | TDP1 (0.39) | TDP1HRH3SIGMAR1ALDH1A1KEAP1 | |
| Tert-Butyl Formate SCHEMBL27773484 | 0.83 | TDP1 (0.48) | TDP1HRH3ALDH1A1SMN1; SMN2HSD17B10 | |
| Tert-Butyl Formate SCHEMBL27906317 | 0.80 | TDP1 (0.45) | TDP1HRH3SIGMAR1ALDH1A1MAOB | |
| Tert-Butyl Formate SCHEMBL28258224 | 0.80 | TDP1 (0.45) | TDP1HRH3SIGMAR1ALDH1A1SMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL28087539 | 0.79 | MEN1 (0.41) | TDP1HRH3ALDH1A1SMN1; SMN2MAOB | |
| Tert-Butyl Formate SCHEMBL27621319 | 0.78 | TDP1 (0.50) | TDP1HRH3SMN1; SMN2MAOBHSD17B10 | |
| Tert-Butyl Formate SCHEMBL27590493 | 0.76 | TDP1 (0.65) | TDP1 | |
| SCHEMBL1099069 | 0.76 | HRH3 (0.65) | HRH3SIGMAR1ALDH1A1KEAP1SMN1; SMN2 |
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-108884070-A | PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS | 葛兰素史克知识产权第二有限公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-105026397-A | 9-(aryl or heteroaryl)-2-(pyrazolyl, pyrrolidinyl or cyclopentyl)aminopurine derivatives as anticancer agents | MERCK PATENT GMBH | 2015-11-04 | — | — | CN | disclosed |