Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15499958 | 0.90 | KDM4E (0.39) | ALDH1A1KDM4EHPGDHCAR2NFE2L2 | |
| SCHEMBL15512770 | 0.90 | KDM4E (0.39) | ALDH1A1KDM4EHPGDHCAR2NFE2L2 | |
| Hydrochloric Acid SCHEMBL15512407 | 0.89 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDHCAR2NFE2L2 | |
| Hydrochloric Acid SCHEMBL15512408 | 0.89 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDHCAR2NFE2L2 | |
| SCHEMBL16798684 | 0.85 | HCAR2 (0.48) | ALDH1A1KDM4EHPGDHCAR2NFE2L2 | |
| SCHEMBL16038869 | 0.84 | HCAR2 (0.36) | ALDH1A1KDM4EHPGDHCAR2NFE2L2 | |
| SCHEMBL16038868 | 0.84 | HCAR2 (0.36) | ALDH1A1KDM4EHPGDHCAR2NFE2L2 | |
| Hydrochloric Acid SCHEMBL16039790 | 0.83 | KDM4E (0.37) | ALDH1A1KDM4EHPGDHCAR2NFE2L2 | |
| Hydrochloric Acid SCHEMBL16039791 | 0.83 | KDM4E (0.37) | ALDH1A1KDM4EHPGDHCAR2NFE2L2 | |
| Hydrochloric Acid SCHEMBL16798667 | 0.83 | HCAR2 (0.46) | ALDH1A1KDM4EHPGDHCAR2NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970101-B1 | PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES | ALKERMES PHARMA IRELAND LTD (IE) | 2018-06-06 | — | — | EP | disclosed |