Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.54 |
| ▸ | CA2 | P00918 | 4/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA7 | P43166 | 3/20 | 0.54 |
| ▸ | CA9 | Q16790 | 3/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | XDH | P47989 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1949259 | 0.86 | CA1 (0.62) | CA1CA2CA12CA7CA9 | |
| Benzene SCHEMBL18691853 | 0.82 | TSHR (0.60) | CA1CA2CA12CA7CA9 | |
| SCHEMBL4257678 | 0.79 | TSHR (0.63) | CA1CA2CA12CA7CA9 | |
| Gallic Acid Methyl Ester SCHEMBL28108826 | 0.79 | XDH (0.84) | CA1CA2CA12CA7CA9 | |
| SCHEMBL8413906 | 0.78 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL147169 | 0.78 | CA1 (0.71) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1537555 | 0.77 | ALDH1A1 (0.68) | CA1CA2CA12CA7CA9 | |
| Formic Acid SCHEMBL27566947 | 0.77 | ALDH1A1 (0.69) | CA1CA2CA12CA7CA9 | |
| SCHEMBL16749655 | 0.77 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL8410461 | 0.77 | ATAD2 (0.60) | CA1CA2CA12CA7CA9 |
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-105339371-A | Thieno[3,2-d]pyrimidine-6-carboxamides and analogues as sirtuin modulators | GLAXOSMITHKLINE LLC | 2016-02-17 | — | — | CN | disclosed |
| CN-102816129-B | The benzene dicarboxylic acid derivative that isothiazoline (alkane) ketone replaces and the purposes as beta-secretase inhibitor thereof | Institute of Toxicology and Drugs, Chinese Academy of Military Medical Sciences (CN) | 2015-08-12 | — | — | CN | disclosed |