Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | TNF | P01375 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5333364 | 1.00 | SIGMAR1 (0.42) | SIGMAR1GSK3AGSK3BCHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL5740537 | 0.98 | SIGMAR1 (0.41) | SIGMAR1GSK3AGSK3BCHRNB2CHRNA4 | |
| Trifluoroacetic Acid SCHEMBL28871686 | 0.86 | KDM1A (0.36) | SIGMAR1 | |
| SCHEMBL2007099 | 0.84 | SIGMAR1 (0.42) | SIGMAR1GSK3AGSK3BCHRNB2CHRNA4 | |
| SCHEMBL19447878 | 0.76 | CYP11B2 (0.46) | SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2 | |
| SCHEMBL27269792 | 0.72 | GSK3A (0.43) | GSK3AGSK3B | |
| SCHEMBL30130240 | 0.71 | SIGMAR1 (0.36) | SIGMAR1CHRNB2CHRNA4PDE3BPDE3A | |
| SCHEMBL29421729 | 0.70 | GSK3A (0.46) | GSK3AGSK3BBCHEMAOAMAOB | |
| SCHEMBL461295 | 0.70 | GSK3A (0.46) | GSK3AGSK3BBCHEMAOAMAOB | |
| SCHEMBL13859951 | 0.69 | CYP11B1 (0.37) | SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118184649-A | Synthesis method of indolo [2,1-a ] isoquinoline | 新疆大学 | 2024-06-14 | — | — | CN | claimed |
| CN-116283974-B | Method for preparing alkylsulfonyl indole [2,1, a ] isoquinoline derivative by utilizing photocatalysis micro-channel | 南京工业大学 | 2024-08-13 | — | — | CN | disclosed |
| CN-118184649-A | Synthesis method of indolo [2,1-a ] isoquinoline | 新疆大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-118184649-A | Synthesis method of indolo [2,1-a ] isoquinoline | 新疆大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-114920740-B | 5, 6-Dihydrobenzo [4,5] imidazo [2,1-a ] isoquinoline compound and preparation method and application thereof | 杭州医学院 | 2024-05-28 | — | — | CN | disclosed |
| CN-114773334-B | Indolo [2, 1-alpha ] isoquinoline compound and preparation method and application thereof | 杭州医学院 | 2023-09-19 | — | — | CN | disclosed |
| CN-114874229-B | 5, 6-dihydro-benzimidazol isoquinoline spiro lactone compound and synthetic method and application thereof | 杭州医学院 | 2023-07-18 | — | — | CN | disclosed |
| CN-116283974-A | Method for preparing alkylsulfonyl indole [2,1, a ] isoquinoline derivative by utilizing photocatalysis micro-channel | 南京工业大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-116200756-A | Process for preparing fluoromethylated benzimidazolo [2,1-a ] isoquinoline derivatives | 昆明学院 | 2023-06-02 | — | — | CN | disclosed |
| CN-114105981-B | Method for preparing benzimidazole [2,1-a ] isoquinoline-6 (5H) -ketone compound | 怀化学院 | 2022-12-30 | — | — | CN | disclosed |
| CN-115551864-A | Substituted tricyclic amides, analogs thereof, and methods of using the same | 爱彼特生物制药公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-115087486-A | Substituted bicyclic and tricyclic ureas and amides, analogs thereof, and methods of use thereof | 爱彼特生物制药公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-114874229-A | 5, 6-dihydrobenzimidazoisoquinoline spiro lactone compound and synthesis method and application thereof | 杭州医学院 | 2022-08-09 | — | — | CN | disclosed |
| CN-114773334-A | Indolo [2, 1-alpha ] isoquinoline compound and preparation method and application thereof | 杭州医学院 | 2022-07-22 | — | — | CN | disclosed |
| CN-113373465-B | Method for synthesizing silicon-based substituted benzimidazolo isoquinolinone compounds through photoelectric concerted catalysis | 北京工业大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-113698399-B | Isoquinoline compound and preparation method and application thereof | 浙江省人民医院 | 2022-05-27 | — | — | CN | disclosed |
| CN-114105981-A | Method for preparing benzimidazole [2,1-a ] isoquinoline-6 (5H) -ketone compound | 怀化学院 | 2022-03-01 | — | — | CN | disclosed |