Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | F2R | P25116 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157570 | 0.89 | CES2 (0.41) | HTTF2RALDH1A1GAAKMT2A | |
| SCHEMBL20157770 | 0.88 | ALDH1A1 (0.36) | MAPTTP53F2RALDH1A1GAA | |
| SCHEMBL20157580 | 0.85 | LMNA (0.37) | MAPTLMNATP53KDM4EALOX15 | |
| SCHEMBL20157850 | 0.84 | MAPT (0.39) | MAPTLMNATP53KDM4EALOX15 | |
| SCHEMBL21564973 | 0.81 | CCNB2 (0.33) | TP53KDM4EHTTF2RALDH1A1 | |
| SCHEMBL20157817 | 0.80 | MAOB (0.38) | MAPTLMNAALDH1A1GAAKMT2A | |
| SCHEMBL21564964 | 0.79 | PTPRC (0.34) | MAPTLMNATP53F2RALDH1A1 | |
| SCHEMBL5188661 | 0.78 | CES2 (0.47) | MAPTLMNATP53KDM4EALOX15 | |
| SCHEMBL21564818 | 0.77 | SMN1; SMN2 (0.43) | MAPTKDM4EMAPK1HTTHSD17B10 | |
| SCHEMBL20158143 | 0.77 | LCK (0.37) | MAPTLMNAKDM4EHTTHSD17B10 |
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 1 patent. 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 |