Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.58 |
| ▸ | MGAM | O43451 | 1/20 | 0.58 |
| ▸ | SI | P14410 | 1/20 | 0.58 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | FAAH | O00519 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3827474 | 0.96 | GAA (0.64) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL11802053 | 0.83 | FAAH (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL456196 | 0.81 | GAA (0.88) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL155563 | 0.81 | GAA (0.78) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL28620241 | 0.81 | FAAH (0.59) | ALDH1A1FAAH | |
| SCHEMBL28856643 | 0.79 | FAAH (0.68) | ALDH1A1FAAH | |
| SCHEMBL28650988 | 0.79 | GAA (0.74) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL15388355 | 0.79 | GAA (0.83) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL14420991 | 0.78 | GAA (0.58) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL28856628 | 0.78 | FAAH (0.71) | FAAH |
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-109053479-B | Method for synthesizing quaternary amine inner salt | 兆科药业（合肥）有限公司 | 2021-09-07 | — | — | CN | disclosed |