Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30564932 | 0.83 | DGAT1 (0.47) | CASP1CA12CA1CA2CA3 | |
| SCHEMBL5511191 | 0.82 | PYGL (0.50) | CASP1CA12CA1CA2CA7 | |
| SCHEMBL3661250 | 0.81 | HSP90AA1 (0.52) | CA12CA1CA2CA3CA4 | |
| SCHEMBL1905387 | 0.80 | HTT (0.46) | CA9KMT2AALDH1A1MEN1MAPT | |
| SCHEMBL2315912 | 0.80 | SLC9A1 (0.44) | CASP1CA12CA1CA2CA3 | |
| SCHEMBL23272826 | 0.79 | CA12 (0.53) | CASP1CA12CA1CA2CA3 | |
| SCHEMBL1478637 | 0.79 | DGAT1 (0.47) | CASP1CA12CA1CA2CA3 | |
| SCHEMBL3661372 | 0.78 | SLC9A1 (0.50) | CA12CA1CA2CA3CA4 | |
| SCHEMBL5327199 | 0.77 | DGAT1 (0.48) | CASP1CA12CA1CA2CA3 | |
| SCHEMBL29271931 | 0.76 | DGAT1 (0.48) | CA12CA1CA2CA3CA4 |
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-118076589-A | Amide compound, preparation method and pharmaceutical application thereof | 中国科学院上海药物研究所 | 2024-05-24 | — | — | CN | disclosed |
| WO-2022268145-A1 | AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 中国科学院上海药物研究所 | 2022-12-29 | — | — | WO | disclosed |
| CN-115504940-A | Amide compound, preparation method and pharmaceutical application thereof | 中国科学院上海药物研究所 | 2022-12-23 | — | — | CN | disclosed |