Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 5/20 | 0.37 |
| ▸ | ACACA | Q13085 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL11375563 | 0.88 | ALDH1A1 (0.44) | ALDH1A1F2GLAHPGD | |
| SCHEMBL9518131 | 0.86 | AOC3 (0.39) | ALDH1A1ACACBACACAMEN1KMT2A | |
| SCHEMBL1059319 | 0.84 | ALDH1A1 (0.44) | ALDH1A1F2GLAHPGDMTNR1A | |
| SCHEMBL103271 | 0.81 | ACACB (0.45) | ALDH1A1ACACBACACAKMT2A | |
| SCHEMBL9263293 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HPGDACACBMEN1KMT2A | |
| SCHEMBL9516954 | 0.80 | ACACB (0.36) | ALDH1A1F2GLAHPGDACACB | |
| SCHEMBL26802304 | 0.79 | ACACB (0.42) | ALDH1A1F2GLAHPGDACACB | |
| SCHEMBL9566752 | 0.79 | ALDH1A1 (0.32) | ALDH1A1ACACBKMT2A | |
| SCHEMBL3300820 | 0.79 | PDE3B (0.42) | ALDH1A1ACACBL3MBTL1 | |
| SCHEMBL8170006 | 0.78 | ALDH1A1 (0.46) | ALDH1A1KMT2A |
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-0533130-A1 | 2-Hydroxymethylpyridines, the corresponding pyridine-N-oxides and derivatives thereof, process for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-03-24 | — | — | EP | disclosed |