Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | PGK2 | P07205 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3958466 | 0.82 | SHBG (0.39) | SHBGLMNATSHRNPSR1ALOX15 | |
| SCHEMBL6828121 | 0.80 | SHBG (0.38) | SHBGTSHRHPGDALOX15ALOX12 | |
| SCHEMBL1318936 | 0.80 | SHBG (0.42) | PGK1PGK2SHBGNPSR1ALOX15 | |
| SCHEMBL17244913 | 0.78 | ALDH1A1 (0.39) | PGK1PGK2NOS3NOS1NOS2 | |
| SCHEMBL29613199 | 0.76 | SHBG (0.42) | PGK1PGK2SHBGHPGDNPSR1 | |
| SCHEMBL17244912 | 0.76 | SHBG (0.42) | PGK1PGK2SHBGHPGDNPSR1 | |
| SCHEMBL6745128 | 0.75 | KDM1A (0.38) | SHBGNPSR1ALOX15ALOX12ALDH1A1 | |
| SCHEMBL20157706 | 0.75 | CD44 (0.37) | SHBGLMNAALOX15ALOX12 | |
| SCHEMBL15788771 | 0.75 | TSHR (0.44) | NOS3NOS1NOS2LMNATSHR | |
| SCHEMBL26036108 | 0.74 | PDGFRB (0.40) | HPGDALDH1A1THRBIDO1 |
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 |