Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | CHEK2 | O96017 | 6/20 | 0.52 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.47 |
| ▸ | AURKA | O14965 | 2/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.46 |
| ▸ | GOT1 | P17174 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 4/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.45 |
| ▸ | CCNK | O75909 | 3/20 | 0.45 |
| ▸ | CDK9 | P50750 | 3/20 | 0.45 |
| ▸ | CDK12 | Q9NYV4 | 3/20 | 0.45 |
| ▸ | CCNH | P51946 | 3/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.45 |
| ▸ | CDK2 | P24941 | 2/20 | 0.45 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.45 |
| ▸ | PRKCI | P41743 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25858603 | 1.00 | KDM4E (0.56) | KDM4EHSD17B10CHEK2CHEK1AURKA | |
| SCHEMBL30108641 | 1.00 | KDM4E (0.56) | KDM4EHSD17B10CHEK2CHEK1AURKA | |
| SCHEMBL25295422 | 0.85 | PRKCZ (0.54) | CHEK1CDK7CCNT1CCNKCDK9 | |
| SCHEMBL25259939 | 0.85 | PRKCZ (0.54) | CHEK1CDK7CCNT1CCNKCDK9 | |
| SCHEMBL26614926 | 0.84 | PDPK1 (0.45) | KDM4EHSD17B10CHEK2CHEK1RPS6KB1 | |
| SCHEMBL26614931 | 0.84 | PDPK1 (0.45) | KDM4EHSD17B10CHEK2CHEK1RPS6KB1 | |
| SCHEMBL24855721 | 0.84 | KDM4E (0.80) | KDM4EHSD17B10GOT1ALDH1A1LMNA | |
| SCHEMBL31719536 | 0.82 | PDPK1 (0.52) | CHEK1RPS6KB1CDK7CCNT1CCNK | |
| SCHEMBL31057259 | 0.77 | IL1B (0.44) | CHEK2CHEK1CDK7CCNT1CCNK | |
| SCHEMBL31091197 | 0.76 | PRKCI (0.41) | CHEK2CHEK1AURKARPS6KB1CDK7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023131277-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF | 药捷安康(南京)科技股份有限公司 | 2023-07-13 | — | — | WO | disclosed |
| CN-116410140-A | NLRP3 inflammation corpuscle inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2023-07-11 | — | — | CN | disclosed |
| CN-115433163-A | NLRP3 inflammasome inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2022-12-06 | — | — | CN | disclosed |
| CN-115417856-A | Pharmaceutical application of substituted heteroaraliphthalazine derivatives and preparation method thereof | 成都奥睿药业有限公司 | 2022-12-02 | — | — | CN | disclosed |