Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 11/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 13/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30467423 | 0.77 | HDAC1 (0.50) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL103458 | 0.77 | HDAC1 (0.50) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL28561624 | 0.77 | HDAC1 (0.50) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL23963004 | 0.77 | HDAC1 (0.50) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL8159598 | 0.76 | HTT (0.50) | ALDH1A1 | |
| SCHEMBL29380092 | 0.76 | MAPT (0.43) | ALDH1A1 | |
| SCHEMBL19511883 | 0.76 | MAPT (0.43) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8847660 | 0.76 | HDAC1 (0.49) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL1266865 | 0.75 | HDAC1 (0.68) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL11404102 | 0.74 | CA3 (0.52) | HDAC1HDAC3ALDH1A1 |
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-2885285-B1 | PYRAZOLE DRIVATIVES WHICH INHIBIT LEUKOTRIENE PRODUCTION | BOEHRINGER INGELHEIM INT (DE) | 2016-10-19 | — | — | EP | disclosed |