Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 6/20 | 0.56 |
| ▸ | AHR | P35869 | 4/20 | 0.47 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.45 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | SCN8A | Q9UQD0 | 3/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28512935 | 0.87 | GPR84 (0.46) | TRPA1AHRGPR84CSNK2A1CYP2A6 | |
| SCHEMBL28505468 | 0.86 | CSNK2A1 (0.45) | TRPA1AHREPAS1GPR84CSNK2A1 | |
| SCHEMBL28511617 | 0.82 | AHR (0.46) | TRPA1AHRGPR84CSNK2A1SCN8A | |
| SCHEMBL2443701 | 0.78 | AXL (0.48) | TRPA1EPAS1CSNK2A1BRD4 | |
| SCHEMBL30194137 | 0.78 | AXL (0.48) | TRPA1EPAS1CSNK2A1BRD4 | |
| SCHEMBL28520341 | 0.77 | TRPA1 (0.54) | TRPA1 | |
| SCHEMBL916587 | 0.76 | GPR84 (0.69) | TRPA1AHRGPR84CSNK2A1CYP2A6 | |
| SCHEMBL29507011 | 0.76 | GPR84 (0.69) | TRPA1AHRGPR84CSNK2A1CYP2A6 | |
| SCHEMBL16738736 | 0.75 | EPAS1 (0.49) | TRPA1EPAS1HSPB1BRD4 | |
| SCHEMBL16738693 | 0.75 | TRPA1 (0.46) | TRPA1EPAS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112300154-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 上海弘翊生物科技有限公司 | 2023-01-24 | — | — | CN | disclosed |
| CN-112300154-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 上海弘翊生物科技有限公司 | 2021-02-02 | — | — | CN | disclosed |