Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 5/20 | 0.48 |
| ▸ | CA1 | P00915 | 5/20 | 0.48 |
| ▸ | CA2 | P00918 | 5/20 | 0.48 |
| ▸ | CA9 | Q16790 | 5/20 | 0.48 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.45 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL30882051 | 0.91 | SCN9A (0.50) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL7428314 | 0.88 | SCN9A (0.53) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL30882049 | 0.87 | CA12 (0.50) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL31053938 | 0.87 | CA12 (0.50) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL21601437 | 0.87 | HPGD (0.55) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL28350960 | 0.86 | SSTR4 (0.47) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL24552697 | 0.86 | CA12 (0.50) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL21601225 | 0.86 | AXL (0.50) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL21601370 | 0.86 | SCN9A (0.48) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL32684131 | 0.86 | CA12 (0.50) | SCN9ACA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115746023-B | Heterocyclic macrocyclic compound containing indazole structure as protein kinase inhibitor and preparation method thereof | 复旦大学 | 2024-08-09 | — | — | CN | disclosed |
| WO-2024088110-A1 | HETEROCYCLIC MACROCYCLIC COMPOUND CONTAINING INDAZOLE STRUCTURE AND USED AS PROTEIN KINASE INHIBITOR, AND PREPARATION METHOD THEREFOR | 复旦大学 | 2024-05-02 | — | — | WO | disclosed |
| CN-115746023-A | Indazole structure-containing heterocyclic macrocyclic compound as protein kinase inhibitor and preparation method thereof | 复旦大学 | 2023-03-07 | — | — | CN | disclosed |
| WO-2019244066-A2 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2019-12-26 | — | — | WO | disclosed |