Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL21915428 | 0.92 | HSD17B1 (0.40) | HSD17B1HSD17B2BCHEHDAC6MAPT | |
| SCHEMBL21915421 | 0.87 | HSD17B1 (0.34) | HSD17B1HSD17B2BCHEHDAC6CYP19A1 | |
| SCHEMBL21915405 | 0.87 | HSD17B1 (0.41) | HSD17B1HSD17B2MAPTSNCACYP19A1 | |
| SCHEMBL17640548 | 0.86 | CYP19A1 (0.47) | HSD17B1HSD17B2BCHEHDAC6MAPT | |
| SCHEMBL21915546 | 0.85 | HSD17B1 (0.44) | HSD17B1HSD17B2MAPTSNCACYP19A1 | |
| SCHEMBL21915690 | 0.84 | DCTPP1 (0.33) | BCHEHTR2CADRA1AHTR2BHTR6 | |
| SCHEMBL21915486 | 0.83 | BCHE (0.34) | BCHEHDAC6MAPTSNCAHTR2C | |
| SCHEMBL17640580 | 0.83 | CYP19A1 (0.45) | HSD17B1HSD17B2BCHEHDAC6MAPT | |
| SCHEMBL17640576 | 0.83 | CYP19A1 (0.45) | HSD17B1HSD17B2BCHEHDAC6MAPT | |
| SCHEMBL21915842 | 0.82 | HSD17B1 (0.43) | HSD17B1HSD17B2BCHEHDAC6MAPT |
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 |