Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | MGAM | O43451 | 1/20 | 0.54 |
| ▸ | SI | P14410 | 1/20 | 0.54 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL54877 | 0.92 | GAA (0.64) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL30381316 | 0.90 | GAA (0.61) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL28359032 | 0.90 | GAA (0.61) | GAAMGAMSIMGAM2ALDH1A1 | |
| Formaldehyde SCHEMBL459758 | 0.88 | GAA (0.58) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL4983773 | 0.88 | GAA (0.58) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL4070364 | 0.87 | GAA (0.64) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL118881 | 0.87 | GAA (0.64) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL7729694 | 0.86 | GAA (0.56) | GAAMGAMSIMGAM2ALDH1A1 | |
| Trimethylammonium SCHEMBL10940613 | 0.86 | GAA (0.56) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL29411100 | 0.84 | GAA (0.41) | GAAMGAMSIMGAM2ALDH1A1 |
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-112500290-A | Method for synthesizing 4-chloroacetoacetic acid methyl ester or 4-chloroacetoacetic acid ethyl ester | 江苏恒安化工有限公司 | 2021-03-16 | — | — | CN | claimed |