Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL62201 | 0.92 | — | — | |
| SCHEMBL28849734 | 0.90 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4608551 | 0.74 | APP (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL16961954 | 0.73 | KCNH2 (0.34) | — | |
| SCHEMBL315016 | 0.72 | — | — | |
| SCHEMBL2885322 | 0.72 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| Magnesium Chloride Anhydrous SCHEMBL20292896 | 0.71 | ACHE (0.36) | ACHE | |
| SCHEMBL123985 | 0.70 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL16960318 | 0.69 | IRAK4 (0.39) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL2778847 | 0.69 | ALDH1A1 (0.45) | ALDH1A1TDP1MAPK1KDM4ELMNA |
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-107176908-A | A kind of synthetic method of the methoxy benzoyl chloride of 2 methyl 3 | 江苏科菲特生化技术股份有限公司 | 2017-09-19 | — | — | CN | claimed |
| CN-107176908-A | A kind of synthetic method of the methoxy benzoyl chloride of 2 methyl 3 | 江苏科菲特生化技术股份有限公司 | 2017-09-19 | — | — | CN | disclosed |