Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 18/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29131128 | 0.83 | CA12 (0.44) | BDKRB1MEN1KMT2ACA12CA1 | |
| SCHEMBL18329438 | 0.82 | CA12 (0.50) | BDKRB1KMT2ACA12CA1CA2 | |
| SCHEMBL24317461 | 0.82 | CA12 (0.43) | BDKRB1MEN1KMT2ACA12CA1 | |
| SCHEMBL29026633 | 0.82 | LMNA (0.49) | BDKRB1MEN1KMT2ACA12CA1 | |
| SCHEMBL19497046 | 0.81 | BDKRB1 (0.49) | BDKRB1KMT2ACA12CA1CA2 | |
| SCHEMBL17166118 | 0.81 | CA12 (0.48) | BDKRB1KMT2ACA12CA1CA2 | |
| SCHEMBL8322933 | 0.80 | CA12 (0.47) | BDKRB1KMT2ACA12CA1CA2 | |
| SCHEMBL29131122 | 0.79 | BDKRB1 (0.38) | BDKRB1CA12CA1CA2CA7 | |
| SCHEMBL29199348 | 0.79 | BDKRB1 (0.38) | BDKRB1MEN1KMT2ACA12CA1 | |
| SCHEMBL4968519 | 0.79 | ALDH1A1 (0.47) | MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-116375704-A | KRAS G12C Preparation and application of mutant protein isoquinolinone inhibitor | 药雅科技(上海)有限公司 | 2023-07-04 | — | — | CN | disclosed |