Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 7/20 | 0.62 |
| ▸ | HDAC7 | Q8WUI4 | 7/20 | 0.62 |
| ▸ | HDAC5 | Q9UQL6 | 7/20 | 0.62 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.62 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.62 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19380274 | 0.86 | HDAC4 (0.44) | HDAC4HDAC7HDAC5HDAC3HDAC8 | |
| SCHEMBL31653962 | 0.84 | MEN1 (0.47) | HDAC4HDAC7HDAC5HDAC3HDAC8 | |
| SCHEMBL10153609 | 0.84 | MEN1 (0.47) | HDAC4HDAC7HDAC5HDAC3HDAC8 | |
| SCHEMBL10153606 | 0.82 | KCNA5 (0.48) | HDAC4HDAC7HDAC5HDAC3HDAC8 | |
| SCHEMBL10154010 | 0.82 | MAPT (0.44) | HDAC4HDAC7HDAC5HDAC3HDAC8 | |
| SCHEMBL31653994 | 0.82 | KCNA5 (0.48) | HDAC4HDAC7HDAC5HDAC3HDAC8 | |
| SCHEMBL11789850 | 0.82 | ALDH1A1 (0.43) | HDAC4HDAC7HDAC5HDAC3HDAC8 | |
| SCHEMBL9952800 | 0.81 | ATM (0.42) | HDAC4HDAC7HDAC5HDAC3HDAC8 | |
| SCHEMBL10153604 | 0.80 | KCNA5 (0.47) | HDAC4HDAC7HDAC5HDAC3HDAC8 | |
| SCHEMBL9953442 | 0.80 | KCNA5 (0.53) | ALDH1A1LMNASMN1; SMN2POLBHPGD |
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-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |