Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 6/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23408471 | 0.78 | AOC1 (0.45) | AOC1AOC3CA12CA1CA2 | |
| SCHEMBL13456619 | 0.77 | SLC6A2 (0.44) | AOC1AOC3SLC6A2SLC6A4CYP2A6 | |
| SCHEMBL17993893 | 0.76 | PTGS1 (0.52) | — | |
| SCHEMBL5769191 | 0.73 | SLC6A2 (0.55) | AOC1AOC3SLC6A2SLC6A4CYP2A6 | |
| SCHEMBL31407254 | 0.73 | LOXL2 (0.57) | AOC1AOC3SLC6A2SLC6A4CYP2A6 | |
| SCHEMBL16547439 | 0.73 | SLC6A2 (0.54) | AOC1AOC3SLC6A2SLC6A4CYP2A6 | |
| SCHEMBL12836473 | 0.73 | SLC6A2 (0.54) | AOC1AOC3SLC6A2SLC6A4CYP2A6 | |
| SCHEMBL25378025 | 0.73 | SLC6A2 (0.44) | AOC1AOC3SLC6A2SLC6A4CYP2A6 | |
| SCHEMBL24883082 | 0.73 | PRKCQ (0.43) | SLC6A2SLC6A4 | |
| SCHEMBL31407268 | 0.72 | SLC6A2 (0.43) | AOC1AOC3SLC6A2SLC6A4CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022007979-A1 | FUSED IMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2022-01-13 | — | — | WO | disclosed |
| WO-2021254470-A1 | 6-OXO-3,6-DIHYDROPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2021-12-23 | — | — | WO | disclosed |
| WO-2021032074-A1 | BENZAMIDE FUSED AROMATIC RING DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2021-02-25 | — | — | WO | disclosed |