Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 7/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR5A | P47898 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28694895 | 1.00 | HPGD (0.43) | HPGDMAPK1HTTHTR3AMAPK10 | |
| SCHEMBL17689831 | 0.83 | NOS2 (0.49) | HPGDMAPK1HTTMAPK10MAPK9 | |
| SCHEMBL31061815 | 0.80 | MAPK1 (0.61) | MAPK1HTTESR2ESR1NOS2 | |
| SCHEMBL15835577 | 0.80 | MAPK1 (0.61) | MAPK1HTTESR2ESR1NOS2 | |
| SCHEMBL17694823 | 0.80 | MAPK1 (0.67) | HPGDMAPK1HTTMAPK10MAPK9 | |
| SCHEMBL29465993 | 0.79 | ESR1 (0.52) | HPGDMAPK10MAPK9ESR2ESR1 | |
| SCHEMBL14378356 | 0.79 | ESR2 (0.55) | HPGDMAPK1HTTMAPK10MAPK9 | |
| SCHEMBL31561665 | 0.78 | FGFR1 (0.51) | MAPK1HTT | |
| SCHEMBL27241689 | 0.78 | FGFR1 (0.51) | MAPK1HTT | |
| SCHEMBL20091329 | 0.78 | ESR1 (0.66) | HPGDMAPK1HTTMAPK10MAPK9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109206422-B | Bipolar compound based on 1,3, 4-thiadiazole and preparation method and application thereof | 湖北尚赛光电材料有限公司 | 2022-03-18 | — | — | CN | disclosed |