Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 2/20 | 0.38 |
| ▸ | AXL | P30530 | 2/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.35 |
| ▸ | ITK | Q08881 | 2/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25839042 | 0.86 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL12140726 | 0.82 | AXL (0.39) | JAK2AXLCDK8TNIKGSK3B | |
| SCHEMBL12140733 | 0.82 | AXL (0.39) | JAK2AXLCDK8TNIKGSK3B | |
| SCHEMBL12140715 | 0.82 | AXL (0.39) | JAK2AXLCDK8TNIKGSK3B | |
| SCHEMBL17998678 | 0.77 | PRMT5 (0.43) | CAMKK2CYP3A4CYP2C19CYP2C9PRMT5 | |
| SCHEMBL1357489 | 0.75 | ITK (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL91445 | 0.73 | AXL (0.41) | JAK2AXLITKCYP3A4CYP2C19 | |
| SCHEMBL12140718 | 0.73 | BRD4 (0.43) | JAK2AXLCDK8TNIKGSK3B | |
| SCHEMBL25839040 | 0.70 | PAK1 (0.60) | AXLCYP3A4CYP2C19PAK1BTK | |
| SCHEMBL24067233 | 0.70 | CYP2C9 (0.37) | CYP3A4CYP2C19CYP2C9PRMT5WDR77 |
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-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |