Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | PDE6D | O43924 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21915418 | 0.90 | HDAC6 (0.38) | ADORA3ADORA2AADORA2BADORA1CYP19A1 | |
| SCHEMBL21915384 | 0.89 | CYP19A1 (0.33) | ADORA3ADORA2AADORA2BADORA1CYP19A1 | |
| SCHEMBL17640633 | 0.87 | CYP19A1 (0.32) | CYP19A1HSD17B1HSD17B2 | |
| SCHEMBL21915542 | 0.86 | PDE6D (0.39) | ADORA3ADORA2AADORA2BADORA1CYP19A1 | |
| SCHEMBL21915462 | 0.86 | MAPT (0.35) | CYP19A1MAPTHSD17B1HSD17B2CYP11B1 | |
| SCHEMBL17640569 | 0.83 | CYP19A1 (0.51) | ADORA3ADORA2AADORA2BADORA1CYP19A1 | |
| SCHEMBL17640631 | 0.82 | CYP19A1 (0.50) | ADORA3ADORA2AADORA2BADORA1CYP19A1 | |
| SCHEMBL17640556 | 0.82 | CYP19A1 (0.50) | ADORA3ADORA2AADORA2BADORA1CYP19A1 | |
| SCHEMBL21915412 | 0.81 | KDM4E (0.38) | ADORA3ADORA2AADORA2BADORA1CYP19A1 | |
| SCHEMBL21915555 | 0.78 | PDE6D (0.37) | ADORA3ADORA2AADORA2BADORA1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020062375-A1 | 1,2,4-THIADIAZOLE COMPOUNDS AND PREPARATION METHOD THEREFOR AND USE THEREOF | 武汉尚赛光电科技有限公司 | 2020-04-02 | — | — | WO | disclosed |