Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157455 | 0.85 | APLNR (0.49) | APLNRHTR2AHTR2CKDM4CTSHR | |
| SCHEMBL20157650 | 0.84 | APLNR (0.51) | APLNRHTR2AHTR2CKDM4CTSHR | |
| SCHEMBL20157358 | 0.82 | KDM4C (0.60) | APLNRHTR2AHTR2CKDM4CLMNA | |
| SCHEMBL21351883 | 0.82 | KDM4C (0.51) | APLNRHTR2AHTR2CKDM4CLMNA | |
| SCHEMBL20157655 | 0.81 | MAPT (0.55) | APLNRHTR2AHTR2CKDM4CTSHR | |
| SCHEMBL27053759 | 0.81 | KDM4C (0.53) | APLNRHTR2AHTR2CKDM4CTSHR | |
| SCHEMBL21351882 | 0.81 | APLNR (0.47) | APLNRHTR2AHTR2CKDM4CTSHR | |
| SCHEMBL14994811 | 0.79 | APLNR (0.50) | APLNRHTR2AHTR2CKDM4CTSHR | |
| SCHEMBL20157651 | 0.78 | APLNR (0.41) | APLNRHTR2AHTR2CKDM4CTSHR | |
| SCHEMBL20157652 | 0.78 | KDM4C (0.48) | APLNRHTR2AHTR2CKDM4CTSHR |
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 |