Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL8526292 | 0.91 | TSHR (0.64) | TSHRMAPTMAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL7302020 | 0.91 | TSHR (0.64) | TSHRMAPTMAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL27923901 | 0.85 | TSHR (0.70) | TSHRMAPTMAOBMAOACA1 | |
| Benzonitrile SCHEMBL28806619 | 0.85 | TSHR (0.70) | TSHRMAPTMAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL12469615 | 0.85 | TSHR (0.70) | TSHRMAPTMAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL7635221 | 0.85 | TSHR (0.70) | TSHRMAPTMAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL29059725 | 0.84 | TSHR (0.88) | TSHRMAPTMAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL11044747 | 0.84 | — | — | |
| Benzonitrile SCHEMBL30929383 | 0.84 | TSHR (1.00) | TSHRMAPTMAOBMAOAALDH1A1 | |
| Benzonitrile SCHEMBL9464940 | 0.84 | TSHR (1.00) | TSHRMAPTMAOBMAOAALDH1A1 |
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 189 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117466906-A | Oridonin derivative, preparation method thereof, pharmaceutical composition and application | 中国人民解放军海军军医大学 | 2024-01-30 | — | — | CN | claimed |
| CN-110790709-A | Dehydroabietic acid benzimidazole-2-benzenesulfonamide derivative and preparation method and application thereof | 南京林业大学 | 2020-02-14 | — | — | CN | claimed |
| CN-117466906-A | Oridonin derivative, preparation method thereof, pharmaceutical composition and application | 中国人民解放军海军军医大学 | 2024-01-30 | — | — | CN | disclosed |
| CN-113999148-B | N- (4- (substituted sulfonyl amino) phenyl) sulfonamide compound and application thereof | 浙江省中医药研究院 | 2023-06-06 | — | — | CN | disclosed |
| CN-110872243-B | Sulfonamide compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-115385862-B | Pyrimidine thioether compound containing sulfonate structure and preparation method and application thereof | 贵州大学 | 2023-03-28 | — | — | CN | disclosed |
| CN-112679458-B | Sulfonic ester-containing myricetin derivative and preparation method and application thereof | 贵州大学 | 2023-01-17 | — | — | CN | disclosed |
| CN-115557876-A | 3-arylcyclylsulfonyl-1-N-heteropyrrole derivative for treating peptic ulcer, and its preparing process and application | 四川国康药业有限公司 | 2023-01-03 | — | — | CN | disclosed |
| CN-110790709-B | Dehydroabietic acid benzimidazole-2-benzenesulfonamide derivative and preparation method and application thereof | 南京林业大学 | 2022-12-09 | — | — | CN | disclosed |
| CN-113264937-B | 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof | 南开大学 | 2022-11-29 | — | — | CN | disclosed |
| CN-115385862-A | Pyrimidine thioether compound containing sulfonate structure as well as preparation method and application thereof | 贵州大学 | 2022-11-25 | — | — | CN | disclosed |
| WO-1996029333-A1 | SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1996-09-26 | — | — | WO | disclosed |
| EP-0720607-A1 | SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1996-07-10 | — | — | EP | disclosed |
| WO-1995007901-A1 | SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | THE UPJOHN COMPANY (US) | 1995-03-23 | — | — | WO | disclosed |
| US-4835312-A | Production process of N-substituted amide compounds | MITSUI CHEMICALS, INCORPORATED (JP) | 1989-05-30 | — | — | US | disclosed |
| EP-0081955-B1 | BENZO-FUSED HETEROCYCLIC COMPOUNDS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1987-01-21 | — | — | EP | disclosed |
| US-4595757-A | N-alkylated benzo- and hetero-fused antisecretory agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1986-06-17 | — | — | US | disclosed |
| US-4490527-A | Benzo-fused heterocyclic anti-ulcer agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1984-12-25 | — | — | US | disclosed |
| US-4461901-A | ANTIULCER AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1984-07-24 | — | — | US | disclosed |
| EP-0081955-A2 | Benzo-fused heterocyclic compounds | AMERICAN HOME PRODUCTS CORPORATION (US) | 1983-06-22 | — | — | EP | disclosed |