Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | CLPP | Q16740 | 2/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.47 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2249184 | 0.83 | ITGB1 (0.53) | SMN1; SMN2CLPPITGB1ITGA5ALDH1A1 | |
| SCHEMBL3727544 | 0.82 | THRB (0.52) | SMN1; SMN2CLPPITGB1ITGA5ALDH1A1 | |
| SCHEMBL8191291 | 0.81 | ALDH1A1 (0.51) | SMN1; SMN2CLPPITGB1ITGA5ALDH1A1 | |
| SCHEMBL12061581 | 0.81 | ALDH1A1 (0.51) | SMN1; SMN2CLPPITGB1ITGA5ALDH1A1 | |
| SCHEMBL28372237 | 0.81 | VCAM1 (0.49) | SMN1; SMN2CLPPITGB1ITGA5ALDH1A1 | |
| SCHEMBL4302375 | 0.80 | PDK1 (0.52) | SMN1; SMN2CLPPITGB1ITGA5ALDH1A1 | |
| SCHEMBL16132076 | 0.80 | GSK3B (0.56) | SMN1; SMN2CLPPITGB1ITGA5ALDH1A1 | |
| SCHEMBL177107 | 0.80 | ALDH1A1 (0.50) | SMN1; SMN2CLPPITGB1ITGA5ALDH1A1 | |
| SCHEMBL28515610 | 0.80 | ALDH1A1 (0.57) | SMN1; SMN2ALDH1A1PDK1LMNATSHR | |
| SCHEMBL28519852 | 0.80 | PDE4D (0.57) | SMN1; SMN2ALDH1A1PDK1LMNATSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110803992-B | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-110803992-A | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2020-02-18 | — | — | CN | disclosed |