Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.34 |
| ▸ | PDE6D | O43924 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.31 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL21916391 | 0.89 | CYP19A1 (0.44) | CYP19A1HDAC6MAPTHSD17B1HSD17B2 | |
| SCHEMBL21915230 | 0.86 | MAPT (0.34) | CYP19A1MAPTHSD17B1HSD17B2 | |
| SCHEMBL21915473 | 0.86 | CYP19A1 (0.41) | CYP19A1MAPTHSD17B1HSD17B2MEN1 | |
| SCHEMBL21915242 | 0.84 | HSD17B1 (0.32) | CYP19A1HSD17B1HSD17B2 | |
| SCHEMBL21915240 | 0.83 | ALOX5 (0.35) | — | |
| SCHEMBL21915616 | 0.82 | CYP19A1 (0.38) | CYP19A1MAPTHSD17B1HSD17B2 | |
| SCHEMBL21915234 | 0.82 | HSD17B1 (0.43) | CYP19A1MAPTHSD17B1HSD17B2PDE6D | |
| SCHEMBL21915591 | 0.81 | CYP19A1 (0.37) | CYP19A1MAPTHSD17B1HSD17B2POLB | |
| SCHEMBL21915621 | 0.80 | CYP19A1 (0.36) | CYP19A1MAPTHSD17B1HSD17B2CYP1A2 | |
| SCHEMBL21915542 | 0.80 | PDE6D (0.39) | CYP19A1HDAC8HDAC6MAPTHSD17B1 |
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 |