Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | TP53 | P04637 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30095505 | 1.00 | MAP3K5 (0.53) | MAP3K5LMNAMAPTTP53POLB | |
| SCHEMBL28899169 | 0.90 | MAP3K5 (0.43) | MAP3K5LMNAMAPTTP53POLB | |
| SCHEMBL30095517 | 0.90 | MAP3K5 (0.43) | MAP3K5LMNAMAPTTP53POLB | |
| SCHEMBL28899152 | 0.90 | MAP3K5 (0.43) | MAP3K5LMNAMAPTTP53POLB | |
| SCHEMBL28899185 | 0.83 | MAP3K5 (0.47) | MAP3K5MAPTTP53 | |
| SCHEMBL30095447 | 0.83 | MAP3K5 (0.47) | MAP3K5MAPTTP53 | |
| SCHEMBL28899150 | 0.83 | MAP3K5 (0.45) | MAP3K5MAPTTP53POLB | |
| SCHEMBL30095514 | 0.77 | HDAC3 (0.47) | MAP3K5TP53 | |
| SCHEMBL28899167 | 0.77 | HDAC3 (0.47) | MAP3K5TP53 | |
| SCHEMBL28899168 | 0.74 | MAP3K5 (0.51) | MAP3K5PSEN1PSEN2APH1BNCSTN |
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 |