Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | RGS12 | O14924 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13209792 | 0.98 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTGAAESR2 | |
| SCHEMBL14879765 | 0.83 | GAA (0.68) | ALDH1A1KDM4EMAPTGAAESR2 | |
| SCHEMBL28115877 | 0.80 | PPARA (0.57) | ALDH1A1KDM4EMAPTGAAESR2 | |
| SCHEMBL702567 | 0.79 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTGAAESR2 | |
| SCHEMBL2734611 | 0.79 | KDM4E (0.67) | ALDH1A1KDM4EMAPTGAACYP3A4 | |
| Hydrochloric Acid SCHEMBL6289406 | 0.78 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTGAAESR2 | |
| SCHEMBL1401513 | 0.77 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTGAAESR2 | |
| SCHEMBL2837159 | 0.77 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTGAAESR2 | |
| SCHEMBL15388380 | 0.77 | CA2 (0.53) | ALDH1A1MAPTGAAESR2CA2 | |
| SCHEMBL2777865 | 0.76 | ALDH1A1 (0.70) | ALDH1A1KDM4EMAPTGAACA2 |
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-5205983-A | Mixture of sorbitol polynitrates and polyolpolynitrates | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1993-04-27 | — | — | US | disclosed |