Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 2/20 | 0.40 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.37 |
| ▸ | MERTK | Q12866 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 2/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CCNK | O75909 | 1/20 | 0.34 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30488497 | 1.00 | BTK (0.40) | BTKEHMT2MERTKPIK3CDUSP30 | |
| SCHEMBL25295324 | 1.00 | BTK (0.40) | BTKEHMT2MERTKPIK3CDUSP30 | |
| SCHEMBL30833925 | 0.92 | BTK (0.41) | BTKEHMT2MERTKUSP30TRPV1 | |
| SCHEMBL30893689 | 0.92 | BTK (0.41) | BTKEHMT2MERTKUSP30TRPV1 | |
| SCHEMBL30833985 | 0.91 | BTK (0.40) | BTKEHMT2MERTKUSP30TRPV1 | |
| SCHEMBL30517816 | 0.91 | CCNK (0.36) | CCNKCDK12 | |
| SCHEMBL29030536 | 0.90 | BTK (0.40) | BTKEHMT2MERTKUSP30TRPV1 | |
| SCHEMBL30488580 | 0.90 | BTK (0.40) | BTKEHMT2MERTKUSP30TRPV1 | |
| SCHEMBL29030534 | 0.90 | BTK (0.40) | BTKEHMT2MERTKUSP30TRPV1 | |
| SCHEMBL30893688 | 0.86 | NLRP3 (0.46) | EHMT2USP30PIM1PIM2BRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |