Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.55 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 4/20 | 0.45 |
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | FABP4 | P15090 | 1/20 | 0.45 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12951710 | 0.85 | HDAC6 (0.49) | HDAC6HDAC1BRD4KDM4EMAOA | |
| SCHEMBL9615110 | 0.82 | NPC1 (0.54) | HDAC6HDAC1KDM4EALDH1A1HTR6 | |
| Hydrochloric Acid SCHEMBL9615105 | 0.81 | KDM4E (0.53) | HDAC6HDAC1KDM4EALDH1A1HTR6 | |
| SCHEMBL928866 | 0.80 | HTR6 (0.52) | HDAC6HDAC1KDM4EALDH1A1HTR6 | |
| SCHEMBL46293 | 0.78 | HDAC1 (0.52) | HDAC6HDAC1KDM4EHTR6HTR2A | |
| SCHEMBL4300297 | 0.77 | HDAC1 (0.53) | HDAC6HDAC1KDM4EALDH1A1HTR6 | |
| Trifluoroacetic Acid SCHEMBL6425706 | 0.77 | HDAC6 (0.52) | HDAC6HDAC1KDM4EALDH1A1HTR6 | |
| Hydrochloric Acid SCHEMBL14892472 | 0.77 | HDAC1 (0.51) | HDAC6HDAC1KDM4EHTR6HTR2A | |
| SCHEMBL20961100 | 0.77 | KDM4E (0.77) | HDAC6HDAC1KDM4EMAOAMAOB | |
| SCHEMBL20961263 | 0.75 | KDM4E (0.80) | HDAC6HDAC1KDM4EMAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011011186-A2 | HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2011-01-27 | — | — | WO | disclosed |