Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | F2R | P25116 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157817 | 0.89 | MAOB (0.38) | GAAKMT2AALDH1A1HTR2AMAOB | |
| SCHEMBL21362565 | 0.89 | MAPT (0.36) | GAAHTTKMT2AALDH1A1F2R | |
| SCHEMBL20157770 | 0.89 | ALDH1A1 (0.36) | GAAKMT2AALDH1A1F2RMAPK14 | |
| SCHEMBL21564973 | 0.87 | CCNB2 (0.33) | CES2CES1GAAHTTKMT2A | |
| SCHEMBL20157580 | 0.86 | LMNA (0.37) | CES2CES1GAAHTTKMT2A | |
| SCHEMBL20157777 | 0.81 | CES2 (0.47) | CES2CES1HTTKMT2AMAOB | |
| SCHEMBL21564964 | 0.80 | PTPRC (0.34) | ALDH1A1F2R | |
| SCHEMBL20157569 | 0.80 | CES2 (0.41) | CES2CES1GAAHTTKMT2A | |
| SCHEMBL21564818 | 0.78 | SMN1; SMN2 (0.43) | HTTKMT2AALDH1A1L3MBTL1 | |
| SCHEMBL20158143 | 0.78 | LCK (0.37) | HTTKMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |