Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TDP2 | O95551 | 1/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.31 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25285451 | 1.00 | S100A4 (0.40) | S100A4CA2CA9CA1CA4 | |
| SCHEMBL3156911 | 0.83 | S100A4 (0.40) | S100A4CA2CA9CA1CA4 | |
| SCHEMBL17121934 | 0.74 | GPR3 (0.46) | CA2CA9CA1CA4CA7 | |
| SCHEMBL1326395 | 0.73 | S100A4 (0.46) | S100A4CA2CA9CA1CA4 | |
| SCHEMBL29726026 | 0.73 | S100A4 (0.46) | S100A4CA2CA9CA1CA4 | |
| SCHEMBL21917575 | 0.69 | EGFR (0.38) | — | |
| SCHEMBL20382197 | 0.68 | S100A4 (0.52) | S100A4CA2CA9CA1CA4 | |
| SCHEMBL23030173 | 0.68 | CA1 (0.45) | S100A4CA2CA9CA1CA4 | |
| SCHEMBL23612328 | 0.68 | CA9 (0.37) | S100A4CA2CA9CA1CA12 | |
| SCHEMBL31009700 | 0.68 | CA1 (0.45) | S100A4CA2CA9CA1CA4 |
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-116265458-A | Benzothiophene derivative, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-06-20 | — | — | CN | disclosed |