Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 3/20 | 0.39 |
| ▸ | JAK1 | P23458 | 3/20 | 0.39 |
| ▸ | TYK2 | P29597 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9412526 | 0.99 | HDAC6 (0.44) | HDAC6HDAC3PTGS1HDAC4HDAC1 | |
| SCHEMBL9412706 | 0.87 | CNR2 (0.39) | HDAC6HDAC3PTGS1HDAC4HDAC1 | |
| SCHEMBL9188544 | 0.85 | ITGB3 (0.57) | ITGB3ITGA2B | |
| Bromide SCHEMBL9412596 | 0.85 | HDAC1 (0.45) | HDAC6HDAC3PTGS1HDAC4HDAC1 | |
| Bromide SCHEMBL9412462 | 0.84 | ITGB3 (0.56) | ITGB3ITGA2B | |
| Bromide SCHEMBL9412580 | 0.79 | KDM4E (0.52) | RECQLKMT2AALDH1A1KDM4ENPC1 | |
| SCHEMBL9412511 | 0.78 | MAPT (0.45) | ITGB3ITGA2BBRD4NPC1RAB9A | |
| Bromide SCHEMBL9412485 | 0.78 | PDE3B (0.50) | HDAC6ITGB3ITGA2B | |
| SCHEMBL9412623 | 0.78 | MAPT (0.46) | HDAC6ITGB3ITGA2BBRD4NPC1 | |
| Bromide SCHEMBL9412705 | 0.77 | MEN1 (0.50) | HDAC6MEN1RECQLKMT2AALDH1A1 |
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-0611660-A2 | Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds | Dr. Karl Thomae GmbH (DE) | 1994-08-24 | — | — | EP | claimed |
| EP-0611660-A2 | Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds | Dr. Karl Thomae GmbH (DE) | 1994-08-24 | — | — | EP | disclosed |