Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 3/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | GRK2 | P25098 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.46 |
| ▸ | NPBWR1 | P48145 | 11/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PKLR | P30613 | 1/20 | 0.39 |
| ▸ | PDE1A | P54750 | 2/20 | 0.39 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.39 |
| ▸ | PDE1C | Q14123 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28899197 | 0.85 | AURKA (0.43) | AURKAGRK2ROCK1RPS6KA1NPBWR1 | |
| SCHEMBL20774415 | 0.76 | MAP3K5 (0.45) | MAP3K5 | |
| SCHEMBL28899162 | 0.75 | NPBWR1 (0.56) | AURKAGRK2ROCK1RPS6KA1NPBWR1 | |
| SCHEMBL30095514 | 0.74 | HDAC3 (0.47) | MAP3K5MCHR1 | |
| SCHEMBL28899167 | 0.74 | HDAC3 (0.47) | MAP3K5MCHR1 | |
| SCHEMBL20672247 | 0.74 | MAP3K5 (0.46) | MAP3K5 | |
| SCHEMBL30095505 | 0.72 | MAP3K5 (0.53) | MAP3K5CNR2PDE1APDE1BPDE1C | |
| SCHEMBL28899151 | 0.72 | MAP3K5 (0.53) | MAP3K5CNR2PDE1APDE1BPDE1C | |
| SCHEMBL30579886 | 0.71 | TDP1 (0.64) | NPBWR1MCHR1PKM | |
| SCHEMBL28899176 | 0.71 | MAP3K5 (0.47) | MAP3K5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109456308-B | Heterocyclic compounds as ASK inhibitors and their use | 南京圣和药业股份有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-109456308-A | Heterocyclic compound and its application as ASK inhibitor | 南京圣和药业股份有限公司 | 2019-03-12 | — | — | CN | disclosed |