Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | PTPRC | P08575 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28577777 | 0.90 | EGFR (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL404224 | 0.88 | EGFR (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL8148281 | 0.87 | CA1 (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL28577779 | 0.86 | EGFR (0.49) | XDHKDM4EEGFR | |
| SCHEMBL4598114 | 0.84 | KDM4E (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL399625 | 0.84 | CA1 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2478176 | 0.84 | CA1 (0.49) | CA1CA2CA12CA7CA9 | |
| SCHEMBL30863575 | 0.84 | CA1 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL105391 | 0.83 | ALDH1A1 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL366584 | 0.83 | CA1 (0.47) | 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-110483333-A | A kind of preparation method for the polycarboxylic acid organic ligand that dicyanogen methyl isophorone replaces | UNIV TONGJI | 2019-11-22 | — | — | CN | claimed |
| CN-110483333-A | A kind of preparation method for the polycarboxylic acid organic ligand that dicyanogen methyl isophorone replaces | UNIV TONGJI | 2019-11-22 | — | — | CN | disclosed |