Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Apabetalone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 known ✓ | O60885 | 13/20 | 0.69 |
| ▸ | BRD2 known ✓ | P25440 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.62 |
| ▸ | IL17A | Q16552 | 1/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.61 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.61 |
| ▸ | PARP1 | P09874 | 2/20 | 0.60 |
| ▸ | BRD1 | O95696 | 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 | |
|---|---|---|---|---|
| Apabetalone SCHEMBL145019 | 0.91 | BRD4 (0.84) | BRD4HDAC1IL17AHDAC6HDAC3 | |
| Apabetalone SCHEMBL29352238 | 0.91 | BRD4 (0.84) | BRD4HDAC1IL17AHDAC6HDAC3 | |
| SCHEMBL377925 | 0.87 | BRD4 (0.77) | BRD4HDAC1IL17AHDAC6HDAC3 | |
| SCHEMBL30434328 | 0.86 | BRD4 (0.77) | BRD4HDAC1IL17AHDAC6HDAC3 | |
| SCHEMBL122790 | 0.86 | BRD4 (0.77) | BRD4HDAC1IL17AHDAC6HDAC3 | |
| SCHEMBL347354 | 0.82 | BRD4 (0.74) | BRD4HDAC1IL17AHDAC6HDAC3 | |
| SCHEMBL17930617 | 0.82 | BRD4 (0.74) | BRD4HDAC1IL17AHDAC6HDAC3 | |
| SCHEMBL30052937 | 0.82 | BRD4 (0.74) | BRD4HDAC1IL17AHDAC6HDAC3 | |
| SCHEMBL30434476 | 0.82 | BRD4 (0.70) | BRD4HDAC1IL17AHDAC6HDAC3 | |
| SCHEMBL121624 | 0.82 | BRD4 (0.70) | BRD4HDAC1IL17AHDAC6HDAC3 |
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-2118074-B1 | COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES | RESVERLOGIX CORP (CA) | 2014-01-22 | — | — | EP | disclosed |