Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2792315 | 1.00 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CHRNA7CRHBPCRHR2 | |
| SCHEMBL7845291 | 0.83 | CYP2A6 (0.62) | CYP2A6SMN1; SMN2CHRNA7CRHBPCRHR2 | |
| SCHEMBL81236 | 0.80 | CYP2A6 (0.58) | CYP2A6SMN1; SMN2CHRNA7CRHBPCRHR2 | |
| SCHEMBL2248829 | 0.80 | CYP2A6 (1.00) | CYP2A6SMN1; SMN2CHRNA7CRHBPCRHR2 | |
| SCHEMBL7987474 | 0.78 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CHRNA7CRHBPCRHR2 | |
| SCHEMBL3113993 | 0.78 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CHRNA7CRHBPCRHR2 | |
| SCHEMBL18666075 | 0.78 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CHRNA7CRHBPCRHR2 | |
| SCHEMBL16398945 | 0.78 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CHRNA7CRHBPCRHR2 | |
| SCHEMBL3106949 | 0.78 | CYP2A6 (0.70) | CYP2A6SMN1; SMN2CHRNA7CRHBPCRHR2 | |
| SCHEMBL1567143 | 0.78 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CHRNA7CRHBPCRHR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025016469-A1 | ALKOXY THIOPHENE ACYL ARYLAMINE COMPOUNDS AND USE THEREOF | 复旦大学 | 2025-01-23 | — | — | WO | disclosed |
| CN-119320385-A | Alkoxy thiophene carboxamide compounds and application thereof | 复旦大学 | 2025-01-17 | — | — | CN | disclosed |
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |