Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 7/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HK1 | P19367 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL1429750 | 1.00 | CHRNB4 (0.49) | CHRNB4CHRNA3POLBALDH1A1LMNA | |
| Methyl Alcohol SCHEMBL28796119 | 0.95 | CHRNB4 (0.45) | CHRNB4CHRNA3POLBALDH1A1LMNA | |
| SCHEMBL17353143 | 0.95 | CHRNB4 (0.56) | CHRNB4CHRNA3POLBALDH1A1LMNA | |
| Trifluoroacetic Acid SCHEMBL22578586 | 0.87 | KIF11 (0.40) | CHRNB4CHRNA3POLBKIF11 | |
| SCHEMBL22097422 | 0.82 | NISCH (0.51) | CHRNB4CHRNA3POLBALDH1A1THRB | |
| SCHEMBL38652147 | 0.82 | CHRNB4 (0.46) | CHRNB4CHRNA3ALDH1A1THRBMAPT | |
| SCHEMBL29867681 | 0.82 | KIF11 (0.37) | CHRNB4CHRNA3POLBALDH1A1LMNA | |
| SCHEMBL22039419 | 0.79 | CHRNB4 (0.46) | CHRNB4CHRNA3POLBALDH1A1THRB | |
| SCHEMBL1344342 | 0.79 | CHRNB4 (0.46) | CHRNB4CHRNA3POLBALDH1A1THRB | |
| SCHEMBL21510308 | 0.78 | CHRNB4 (0.43) | CHRNB4CHRNA3KDM4E |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114774383-B | Imine reductase mutant and application thereof in catalytic synthesis of chiral 2-arylpyrrolidine | 安徽趣酶生物科技有限公司 | 2024-03-12 | — | — | CN | claimed |
| CN-110283858-B | Method for preparing (S) -2- (2, 5-difluorophenyl) pyrrolidine by biocatalysis | 尚科生物医药（上海）有限公司 | 2024-01-26 | — | — | CN | claimed |
| CN-111057729-B | (R) -2- (2, 5-difluorophenyl) pyrrolidine and preparation method and application thereof | 弈柯莱生物科技(上海)股份有限公司 | 2023-08-29 | — | — | CN | claimed |
| CN-114836490-A | Application of imine reductase in catalytic synthesis of chiral 2-aryl pyrrolidine | 上海健康医学院 | 2022-08-02 | — | — | CN | claimed |
| CN-113354649-B | Novel crystal form | 阵列生物制药公司 | 2024-12-10 | — | — | CN | disclosed |
| CN-109414442-B | Liquid preparation of compound | 洛克索肿瘤学股份有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-114774383-B | Imine reductase mutant and application thereof in catalytic synthesis of chiral 2-arylpyrrolidine | 安徽趣酶生物科技有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-110283858-B | Method for preparing (S) -2- (2, 5-difluorophenyl) pyrrolidine by biocatalysis | 尚科生物医药（上海）有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-110283858-B | Method for preparing (S) -2- (2, 5-difluorophenyl) pyrrolidine by biocatalysis | 尚科生物医药（上海）有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-111057729-B | (R) -2- (2, 5-difluorophenyl) pyrrolidine and preparation method and application thereof | 弈柯莱生物科技(上海)股份有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-111057729-B | (R) -2- (2, 5-difluorophenyl) pyrrolidine and preparation method and application thereof | 弈柯莱生物科技(上海)股份有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-114163445-B | Larotinib intermediate and preparation method thereof | 重庆医科大学 | 2023-06-20 | — | — | CN | disclosed |
| CN-111138333-B | Preparation method of (R) -2- (2, 5-difluorophenyl) -pyrrolidine | 上海复星星泰医药科技有限公司 | 2023-05-23 | — | — | CN | disclosed |
| CN-115704014-A | Imine reductase mutant and application thereof in synthesis of (R) -2- (2, 5-difluorophenyl) pyrrolidine | 陈泽聪 | 2023-02-17 | — | — | CN | disclosed |
| CN-115704043-A | Method for preparing (R) -2- (2,5-difluorophenyl) pyrrolidine | 陈泽聪 | 2023-02-17 | — | — | CN | disclosed |
| CN-114836490-A | Application of imine reductase in catalytic synthesis of chiral 2-aryl pyrrolidine | 上海健康医学院 | 2022-08-02 | — | — | CN | disclosed |
| CN-114774383-A | Imine reductase mutant and application thereof in catalytic synthesis of chiral 2-aryl pyrrolidine | 上海健康医学院 | 2022-07-22 | — | — | CN | disclosed |
| CN-111302997-B | Method for preparing Raatinib intermediate by one-pot method | 江苏恒沛药物科技有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-114163445-A | Raatinib intermediate and preparation method thereof | 重庆医科大学 | 2022-03-11 | — | — | CN | disclosed |