Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.88 |
| ▸ | MGAM | O43451 | 1/20 | 0.88 |
| ▸ | SI | P14410 | 1/20 | 0.88 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Malonic Acid Diethyl Ester SCHEMBL8636 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1331187 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1330550 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1864301 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1331824 | 0.94 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL4334303 | 0.91 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL8417856 | 0.91 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL11027431 | 0.91 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL17433571 | 0.91 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1127444 | 0.91 | GAA (0.94) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021040356-A1 | C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION | KAINOS MEDICINE, INC. (KR) | 2021-03-04 | — | — | WO | disclosed |
| CN-109336808-A | The green new method of transition metal-catalyzed C-H carbenoid coupling reaction synthesis C-C key and N heterocyclic derivative | 四川大学 | 2019-02-15 | — | — | CN | disclosed |