Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27773468 | 0.98 | ALDH1A1 (0.45) | ALDH1A1KDM4EBCAT1GAATDP1 | |
| SCHEMBL28081700 | 0.81 | BCAT1 (0.50) | ALDH1A1BCAT1SMN1; SMN2HTTKMT2A | |
| SCHEMBL28464131 | 0.79 | CA1 (0.44) | ALDH1A1KDM4EBCAT1SMN1; SMN2HTT | |
| SCHEMBL11798964 | 0.77 | CA1 (0.43) | ALDH1A1KDM4EBCAT1TDP1SMN1; SMN2 | |
| SCHEMBL7500671 | 0.75 | KMT2A (0.46) | ALDH1A1KDM4EBCAT1TDP1SMN1; SMN2 | |
| SCHEMBL28866719 | 0.75 | TGM2 (0.44) | ALDH1A1SMN1; SMN2CA1CA2MMP1 | |
| SCHEMBL29245723 | 0.75 | ELANE (0.42) | ALDH1A1KDM4EBCAT1TDP1SMN1; SMN2 | |
| Water SCHEMBL27768309 | 0.74 | KMT2A (0.44) | ALDH1A1KDM4EBCAT1TDP1SMN1; SMN2 | |
| SCHEMBL29126156 | 0.73 | TGM2 (0.46) | ALDH1A1SMN1; SMN2CA1CA2MMP1 | |
| SCHEMBL21990561 | 0.73 | PPARG (0.50) | ALDH1A1KDM4EGAATDP1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109020845-A | A kind of preparation method of pair of methacryl amido benzene sulfonic acid sodium salt | 中国科学院成都有机化学有限公司 | 2018-12-18 | — | — | CN | disclosed |