Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MAP3K5 | Q99683 | 7/20 | 0.45 |
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL30095514 | 1.00 | HDAC3 (0.47) | HDAC3HDAC1HDAC6MAP3K5EGLN1 | |
| SCHEMBL28899185 | 0.86 | MAP3K5 (0.47) | HDAC3HDAC1HDAC6MAP3K5EGLN1 | |
| SCHEMBL28899150 | 0.86 | MAP3K5 (0.45) | HDAC3HDAC1HDAC6MAP3K5EGLN1 | |
| SCHEMBL30095447 | 0.86 | MAP3K5 (0.47) | HDAC3HDAC1HDAC6MAP3K5EGLN1 | |
| SCHEMBL28899160 | 0.85 | EGLN1 (0.38) | HDAC3HDAC1HDAC6MAP3K5EGLN1 | |
| SCHEMBL30095357 | 0.85 | EGLN1 (0.38) | HDAC3HDAC1HDAC6MAP3K5EGLN1 | |
| SCHEMBL30095505 | 0.77 | MAP3K5 (0.53) | MAP3K5TP53 | |
| SCHEMBL28899151 | 0.77 | MAP3K5 (0.53) | MAP3K5TP53 | |
| SCHEMBL30362848 | 0.75 | MAPT (0.42) | MAP3K5ALDH1A1 | |
| SCHEMBL17801486 | 0.74 | HDAC3 (0.59) | HDAC3HDAC1HDAC6EGLN1KLKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110294742-B | Fused ring ASK1 inhibitor and application thereof | 山东轩竹医药科技有限公司 | 2023-01-31 | — | — | CN | disclosed |
| 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 |