Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28960469 | 1.00 | CA12 (0.51) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL28961017 | 0.73 | CA1 (0.58) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL2777400 | 0.73 | CA1 (0.58) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL28960477 | 0.73 | MEN1 (0.56) | CA12CA9CA1MAPTNOS1 | |
| SCHEMBL30070404 | 0.73 | CA1 (0.58) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL15884037 | 0.73 | ALDH1A1 (0.60) | CA12CA9CA1CA2MAPT | |
| SCHEMBL12567250 | 0.71 | HTT (0.43) | CA12CA9MAPTNOS1POLB | |
| SCHEMBL9662361 | 0.70 | MEN1 (0.44) | CA12CA9CA1CA2MAPT | |
| SCHEMBL29437620 | 0.69 | CA1 (1.00) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL5800982 | 0.68 | PLAU (0.49) | MAPTNOS1POLBMAOBMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119731169-A | Sodium channel regulator and application thereof | 上海汇伦医药股份有限公司 | 2025-03-28 | — | — | CN | disclosed |
| CN-115572282-B | Pyrazole amide compound containing aromatic heterocyclic structure, and preparation method and application thereof | 华东理工大学 | 2024-07-09 | — | — | CN | disclosed |
| CN-115572282-A | Pyrazole amide compound containing aromatic heterocyclic structure, and preparation method and application thereof | 华东理工大学 | 2023-01-06 | — | — | CN | disclosed |