Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.79 |
| ▸ | MGAM | O43451 | 2/20 | 0.79 |
| ▸ | SI | P14410 | 2/20 | 0.79 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL79626 | 0.97 | GAA (0.83) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL9240766 | 0.97 | GAA (0.83) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL17167768 | 0.92 | GAA (0.75) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL4939828 | 0.92 | GAA (0.94) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1331824 | 0.89 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL8636 | 0.89 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1864301 | 0.89 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1331187 | 0.89 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1330550 | 0.89 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL28071997 | 0.88 | GAA (0.68) | 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 |
|---|---|---|---|---|---|---|---|
| US-4447431-A | VIRICIDES, ANTIINFLAMMATORY AND SUNCREEN AGENT | CIBA-GEIGY CORPORATION (US) | 1984-05-08 | — | — | US | disclosed |