Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17295659 | 0.91 | HDAC1 (0.39) | ALDH1A1TDP1NPC1RAB9AHDAC1 | |
| SCHEMBL251220 | 0.78 | TDP1 (0.48) | ALDH1A1HPGDL3MBTL1MEN1HTT | |
| SCHEMBL272368 | 0.78 | TDP1 (0.48) | ALDH1A1HPGDL3MBTL1MEN1HTT | |
| Ammonia Solution, Strong SCHEMBL2333633 | 0.77 | TDP1 (0.46) | ALDH1A1HPGDL3MBTL1MEN1HTT | |
| Water SCHEMBL27475250 | 0.77 | TDP1 (0.46) | ALDH1A1HPGDL3MBTL1MEN1HTT | |
| Ammonia Solution, Strong SCHEMBL10952443 | 0.75 | TDP1 (0.44) | ALDH1A1HPGDL3MBTL1MEN1HTT | |
| Alcohol SCHEMBL4592779 | 0.73 | TDP1 (0.48) | ALDH1A1HPGDKEAP1TDP1NPC1 | |
| SCHEMBL23924264 | 0.72 | SLC6A2 (0.47) | ALDH1A1TDP1NPC1RAB9AFDPS | |
| Acetic Acid SCHEMBL27497151 | 0.72 | ALDH1A1 (0.53) | ALDH1A1FFAR1L3MBTL1MEN1HTT | |
| SCHEMBL17295650 | 0.72 | PDE2A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2237664-A1 | (HET) ARYL-p-QUINONE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES | Edison Pharmaceuticals, Inc. (US) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009089224-A1 | (HET) ARYL-p-QUINONE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES | EDISON PHARMACEUTICALS, INC. (US) | 2009-07-16 | — | — | WO | disclosed |