Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 10/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157431 | 0.87 | THRB (0.34) | BRD4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL20158149 | 0.78 | GRM5 (0.33) | BRD4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL21362618 | 0.76 | BRD4 (0.35) | BRD4ATMTP53RXFP1MAPT | |
| SCHEMBL21351997 | 0.76 | BRD4 (0.32) | BRD4ATM | |
| SCHEMBL20157434 | 0.74 | BRD4 (0.33) | BRD4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL20157713 | 0.74 | BRD4 (0.33) | BRD4 | |
| SCHEMBL21352053 | 0.72 | BRD4 (0.31) | BRD4 | |
| SCHEMBL21352162 | 0.72 | BRD4 (0.32) | BRD4ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL20157653 | 0.72 | BRD4 (0.38) | BRD4 | |
| SCHEMBL21362256 | 0.72 | BRD4 (0.38) | BRD4 |
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-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |