Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL21915527 | 0.94 | HSD17B1 (0.38) | HSD17B1HSD17B2CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL21915613 | 0.92 | CYP19A1 (0.41) | HSD17B1HSD17B2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL21915390 | 0.89 | HSD17B1 (0.40) | HSD17B1HSD17B2CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL21915612 | 0.88 | HSD17B1 (0.34) | HSD17B1HSD17B2 | |
| SCHEMBL21915217 | 0.87 | HSD17B1 (0.39) | HSD17B1HSD17B2CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL21915512 | 0.86 | HSD17B1 (0.35) | HSD17B1HSD17B2CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL21915201 | 0.86 | HSD17B1 (0.36) | HSD17B1HSD17B2CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL21915405 | 0.86 | HSD17B1 (0.41) | HSD17B1HSD17B2CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL21915378 | 0.85 | HSD17B1 (0.40) | HSD17B1HSD17B2CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL21915377 | 0.83 | CYP19A1 (0.43) | HSD17B1HSD17B2SMN1; SMN2KDM4EMEN1 |
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 |