Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 14/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 13/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 13/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 11/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 11/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 11/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 11/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 11/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 11/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 11/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 11/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30367629 | 1.00 | KDM1A (0.49) | KDM1AHDAC3HDAC6HDAC1HDAC4 | |
| SCHEMBL29167263 | 1.00 | KDM1A (0.49) | KDM1AHDAC3HDAC6HDAC1HDAC4 | |
| SCHEMBL29167276 | 1.00 | KDM1A (0.49) | KDM1AHDAC3HDAC6HDAC1HDAC4 | |
| SCHEMBL30368180 | 1.00 | KDM1A (0.49) | KDM1AHDAC3HDAC6HDAC1HDAC4 | |
| SCHEMBL29167273 | 0.99 | KDM1A (0.49) | KDM1AHDAC3HDAC6HDAC1HDAC4 | |
| SCHEMBL29167218 | 0.87 | KDM1A (0.50) | KDM1A | |
| SCHEMBL29167200 | 0.87 | KDM1A (0.61) | KDM1AHDAC3HDAC6HDAC1HDAC4 | |
| SCHEMBL29167192 | 0.87 | KDM1A (0.50) | KDM1A | |
| SCHEMBL30367854 | 0.87 | KDM1A (0.61) | KDM1AHDAC3HDAC6HDAC1HDAC4 | |
| SCHEMBL29167239 | 0.87 | KDM1A (0.61) | KDM1AHDAC3HDAC6HDAC1HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116082216-A | 3-aryl indole KDM1A/HDACs double-target inhibitor, and preparation method and application thereof | 阜外华中心血管病医院 | 2023-05-09 | — | — | CN | disclosed |