Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30095463 | 1.00 | BRD4 (0.40) | BRD4HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL28960067 | 0.81 | HDAC8 (0.40) | HDAC1HDAC2HDAC6HDAC3HDAC4 | |
| SCHEMBL30095522 | 0.80 | LMNA (0.43) | BRD4HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL28899220 | 0.80 | LMNA (0.43) | BRD4HDAC1HDAC2HDAC6HDAC3 | |
| SCHEMBL30095433 | 0.73 | MAPT (0.44) | HDAC1HDAC2HDAC6HDAC3HDAC4 | |
| SCHEMBL28899159 | 0.73 | MAPT (0.44) | HDAC1HDAC2HDAC6HDAC3HDAC4 | |
| SCHEMBL29289201 | 0.73 | HDAC3 (0.52) | HDAC1HDAC6HDAC3ALDH1A1TP53 | |
| SCHEMBL28523995 | 0.67 | — | — | |
| SCHEMBL30686044 | 0.67 | — | — | |
| SCHEMBL19679824 | 0.67 | MAPK10 (0.52) | BRD4HDAC1HDAC2HDAC6HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109456308-B | Heterocyclic compounds as ASK inhibitors and their use | 南京圣和药业股份有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-109456308-A | Heterocyclic compound and its application as ASK inhibitor | 南京圣和药业股份有限公司 | 2019-03-12 | — | — | CN | disclosed |