Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | BDKRB1 | P46663 | 15/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29131122 | 0.82 | BDKRB1 (0.38) | BDKRB1ALDH1A1KDM4EHSD17B10CA12 | |
| SCHEMBL29199348 | 0.82 | BDKRB1 (0.38) | BDKRB1HPGDNPSR1CA12CA1 | |
| SCHEMBL29131091 | 0.80 | BDKRB1 (0.38) | BDKRB1 | |
| SCHEMBL29026652 | 0.78 | BDKRB1 (0.47) | BDKRB1CA12CA1CA2CA7 | |
| SCHEMBL29131129 | 0.77 | SLC6A3 (0.35) | BDKRB1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL10174515 | 0.75 | CNR2 (0.40) | CNR2BDKRB1ALDH1A1HPGDGAA | |
| SCHEMBL4203546 | 0.72 | CA12 (0.44) | ALDH1A1HPGDGAAKDM4ETSHR | |
| SCHEMBL31401179 | 0.72 | CA12 (0.44) | ALDH1A1HPGDGAAKDM4ETSHR | |
| SCHEMBL2334086 | 0.72 | DPP4 (0.46) | BDKRB1ALDH1A1HPGDGAAKDM4E | |
| SCHEMBL14660758 | 0.71 | KDM4E (0.40) | ALDH1A1GAAKDM4EHSD17B10 |
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-117903192-A | Preparation method of 3-methoxy isoquinoline compound intermediate | 上海相辉医药科技有限公司 | 2024-04-19 | — | — | CN | claimed |
| CN-117903192-A | Preparation method of 3-methoxy isoquinoline compound intermediate | 上海相辉医药科技有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-117263959-A | Preparation and application of aromatic KRAS mutant protein inhibitor | 药雅科技(上海)有限公司 | 2023-12-22 | — | — | CN | disclosed |