Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 6/20 | 0.56 |
| ▸ | NLRP3 | Q96P20 | 7/20 | 0.53 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29131896 | 1.00 | IL1B (0.56) | IL1BNLRP3USP30TRPV1HDAC4 | |
| SCHEMBL29131864 | 0.96 | IL1B (0.51) | IL1BNLRP3USP30HDAC4HDAC6 | |
| SCHEMBL29131862 | 0.96 | IL1B (0.51) | IL1BNLRP3USP30HDAC4HDAC6 | |
| SCHEMBL31057291 | 0.90 | IL1B (0.70) | IL1BNLRP3USP30TRPV1HDAC4 | |
| SCHEMBL28934338 | 0.89 | NLRP3 (0.56) | IL1BNLRP3USP30BTKPIM1 | |
| SCHEMBL28934340 | 0.89 | NLRP3 (0.56) | IL1BNLRP3USP30BTKPIM1 | |
| SCHEMBL28961895 | 0.89 | IL1B (0.61) | IL1BNLRP3KCNH2BTK | |
| SCHEMBL29275955 | 0.89 | IL1B (0.61) | IL1BNLRP3KCNH2BTK | |
| SCHEMBL29131901 | 0.88 | IL1B (0.59) | IL1BNLRP3KCNH2BTK | |
| SCHEMBL29131905 | 0.88 | IL1B (0.59) | IL1BNLRP3KCNH2BTK |
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-116969920-A | Fused pyridazine derivative, preparation method and medical application thereof | 上海辉启生物医药科技有限公司 | 2023-10-31 | — | — | CN | disclosed |