Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.38 |
| ▸ | MAP3K5 | Q99683 | 4/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30095357 | 1.00 | EGLN1 (0.38) | EGLN1MAP3K5HDAC3HDAC1HDAC6 | |
| SCHEMBL28899167 | 0.85 | HDAC3 (0.47) | EGLN1MAP3K5HDAC3HDAC1HDAC6 | |
| SCHEMBL30095514 | 0.85 | HDAC3 (0.47) | EGLN1MAP3K5HDAC3HDAC1HDAC6 | |
| SCHEMBL30283377 | 0.80 | EGLN1 (0.45) | EGLN1HDAC3HDAC1HDAC6KDM4E | |
| SCHEMBL30095447 | 0.76 | MAP3K5 (0.47) | EGLN1MAP3K5HDAC3HDAC1HDAC6 | |
| SCHEMBL28899185 | 0.76 | MAP3K5 (0.47) | EGLN1MAP3K5HDAC3HDAC1HDAC6 | |
| SCHEMBL28899150 | 0.76 | MAP3K5 (0.45) | EGLN1MAP3K5HDAC3HDAC1HDAC6 | |
| SCHEMBL30362848 | 0.72 | MAPT (0.42) | MAP3K5KDM4EMAPK1ALDH1A1POLB | |
| SCHEMBL29392463 | 0.70 | KDM4E (0.46) | EGLN1HDAC3HDAC1HDAC6KDM4E | |
| SCHEMBL30095482 | 0.69 | MAP3K5 (0.43) | 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 |