Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 5/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNG | P07510 | 1/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CHRND | Q07001 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 4/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31160051 | 1.00 | CYP11B2 (0.45) | CYP11B2CYP11B1CYP19A1CYP17A1HRH1 | |
| SCHEMBL10687001 | 0.81 | GRM2 (0.42) | CYP11B2CYP11B1CYP19A1CYP17A1HRH1 | |
| SCHEMBL10687012 | 0.81 | GRM2 (0.42) | CYP11B2CYP11B1CYP19A1CYP17A1HRH1 | |
| SCHEMBL10687018 | 0.81 | GRM2 (0.42) | CYP11B2CYP11B1CYP19A1CYP17A1HRH1 | |
| SCHEMBL122002 | 0.78 | CYP11B2 (0.43) | CYP11B2CYP11B1CYP19A1CYP17A1HRH1 | |
| SCHEMBL31140530 | 0.78 | MAPT (0.41) | CYP11B2CYP11B1CYP19A1CYP17A1HRH1 | |
| SCHEMBL10501106 | 0.76 | CYP11B2 (0.39) | CYP11B2CYP11B1CYP19A1CYP17A1HRH1 | |
| SCHEMBL1121711 | 0.75 | HTR2A (0.49) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 | |
| SCHEMBL12303672 | 0.75 | HTR2A (0.49) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 | |
| SCHEMBL29595508 | 0.75 | HTR2A (0.49) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111517985-B | Preparation method of 4- [ (1R) -1-amino-2-hydroxyethyl ] -3-fluoro-benzonitrile | 济南百润医药科技有限公司 | 2023-05-12 | — | — | CN | claimed |
| CN-111517985-A | Preparation method of 4- [ (1R) -1-amino-2-hydroxyethyl ] -3-fluoro-benzonitrile | 苏州明锐医药科技有限公司 | 2020-08-11 | — | — | CN | claimed |
| CN-111517985-B | Preparation method of 4- [ (1R) -1-amino-2-hydroxyethyl ] -3-fluoro-benzonitrile | 济南百润医药科技有限公司 | 2023-05-12 | — | — | CN | disclosed |