Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 6/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.53 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | CIT | O14578 | 1/20 | 0.39 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.39 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.39 |
| ▸ | STK10 | O94804 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL26089027 | 1.00 | HDAC3 (0.53) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL26441583 | 0.83 | TNKS (0.42) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL26089057 | 0.82 | KDR (0.37) | CITMAP3K7RIPK2STK10MAP4K4 | |
| SCHEMBL26441332 | 0.81 | TRPV1 (0.45) | MAP4K1CYP19A1 | |
| SCHEMBL21646064 | 0.81 | MAP4K1 (0.51) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL31329495 | 0.81 | MAP4K1 (0.51) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL31329494 | 0.81 | MAP4K1 (0.51) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL26087076 | 0.79 | CREBBP (0.44) | BRD4CREBBPCYP3A4CYP19A1CYP2C9 | |
| SCHEMBL30100709 | 0.79 | CREBBP (0.44) | BRD4CREBBPCYP3A4CYP19A1CYP2C9 | |
| SCHEMBL23674977 | 0.78 | CRBN (0.35) | CITMAP3K7RIPK2STK10MAP4K4 |
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-4093400-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | The Trustees of Princeton University (US) | 2022-11-30 | — | — | EP | disclosed |