Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ADH1B | P00325 | 3/20 | 0.38 |
| ▸ | ADH1C | P00326 | 3/20 | 0.38 |
| ▸ | ADH1A | P07327 | 3/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 SCHEMBL27647494 | 0.94 | TDP1 (0.50) | TDP1ADH1BADH1CADH1AADH4 | |
| Tert-Butyl Formate SCHEMBL27735920 | 0.90 | TDP1 (0.54) | TDP1ADH1BADH1A | |
| Tert-Butyl Formate SCHEMBL27852871 | 0.82 | TDP1 (0.45) | TDP1EPHX1 | |
| Tert-Butyl Formate SCHEMBL27996977 | 0.81 | TDP1 (0.43) | TDP1EPHX2 | |
| Tert-Butyl Formate SCHEMBL27949971 | 0.81 | TDP1 (0.43) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27852257 | 0.81 | TDP1 (0.43) | TDP1EPHX1 | |
| Tert-Butyl Formate SCHEMBL27551167 | 0.79 | TDP1 (0.54) | TDP1ADH1CADH1AALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28074605 | 0.77 | TDP1 (0.81) | TDP1 | |
| Cyclooctane SCHEMBL21693719 | 0.77 | TDP1 (0.81) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27570851 | 0.77 | TDP1 (0.81) | TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104837825-B | Shandong tyrosine kinase inhibitor | 北京赛林泰医药技术有限公司 | 2018-11-27 | — | — | CN | disclosed |
| CN-104487433-B | Triazolone compounds as mPGES-1 inhibitors | 格兰马克药品股份有限公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-104837825-A | Inhibitors of bruton's tyrosine kinase | CENTAURUS BIOPHARMA CO LTD | 2015-08-12 | — | — | CN | disclosed |
| CN-104487433-A | Triazolone compounds as mpges-1 inhibitors | GLENMARK PHARMACEUTICALS SA | 2015-04-01 | — | — | CN | disclosed |