Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | PDE6D | O43924 | 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 | |
|---|---|---|---|---|
| SCHEMBL21915474 | 0.96 | HSD17B1 (0.39) | CYP19A1HSD17B1HSD17B2HDAC6MAPT | |
| SCHEMBL17640576 | 0.93 | CYP19A1 (0.45) | CYP19A1HSD17B1HSD17B2HDAC6MAPT | |
| SCHEMBL17640580 | 0.93 | CYP19A1 (0.45) | CYP19A1HSD17B1HSD17B2HDAC6MAPT | |
| SCHEMBL21915472 | 0.91 | HSD17B1 (0.34) | CYP19A1HSD17B1HSD17B2HDAC6MAPT | |
| SCHEMBL21915426 | 0.91 | HSD17B1 (0.43) | CYP19A1HSD17B1HSD17B2HDAC6MAPT | |
| SCHEMBL17640548 | 0.90 | CYP19A1 (0.47) | CYP19A1HSD17B1HSD17B2HDAC6MAPT | |
| SCHEMBL21915405 | 0.89 | HSD17B1 (0.41) | CYP19A1HSD17B1HSD17B2MAPTADORA3 | |
| SCHEMBL17278641 | 0.86 | HDAC6 (0.45) | HDAC6MAPTBCHEMEN1KMT2A | |
| SCHEMBL21915195 | 0.84 | HSD17B1 (0.40) | CYP19A1HSD17B1HSD17B2HDAC6MAPT | |
| SCHEMBL17278643 | 0.84 | HDAC6 (0.45) | HDAC6MAPTBCHEMEN1KMT2A |
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 |