Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 3/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | SNCA | P37840 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | PDE6D | O43924 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL21915404 | 0.91 | HSD17B1 (0.35) | HSD17B1HSD17B2BCHEMAPTSNCA | |
| SCHEMBL21915426 | 0.86 | HSD17B1 (0.43) | HSD17B1HSD17B2BCHEMAPTSNCA | |
| SCHEMBL21916410 | 0.85 | HSD17B1 (0.36) | HSD17B1HSD17B2MAPTSNCACYP19A1 | |
| SCHEMBL21915195 | 0.84 | HSD17B1 (0.40) | HSD17B1HSD17B2BCHEMAPTSNCA | |
| SCHEMBL21915593 | 0.83 | HSD17B1 (0.31) | HSD17B1HSD17B2TP53 | |
| SCHEMBL21915255 | 0.83 | HSD17B1 (0.36) | HSD17B1HSD17B2BCHESLC6A3MAPT | |
| SCHEMBL21915474 | 0.82 | HSD17B1 (0.39) | HSD17B1HSD17B2BCHEMAPTSNCA | |
| SCHEMBL21915842 | 0.82 | HSD17B1 (0.43) | HSD17B1HSD17B2BCHEMAPTSNCA | |
| SCHEMBL21915628 | 0.82 | CYP19A1 (0.40) | HSD17B1HSD17B2BCHEMAPTSNCA | |
| SCHEMBL21915499 | 0.81 | HSD17B1 (0.33) | HSD17B1HSD17B2MAPTSNCAPDE6D |
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 |