Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ANO1 | Q5XXA6 | 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL27905677 | 0.78 | TSHR (0.53) | GAATSHRACHEL3MBTL1RAB9A | |
| SCHEMBL181090 | 0.78 | — | — | |
| Water SCHEMBL28330914 | 0.75 | — | — | |
| SCHEMBL914296 | 0.74 | PDK1 (0.70) | PDK1PDK2PDK3PDK4GAA | |
| Trimethylammonium SCHEMBL27540821 | 0.73 | CA2 (0.43) | GAATSHRL3MBTL1ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL28203570 | 0.73 | PDK1 (0.68) | PDK1PDK2PDK3PDK4GAA | |
| O-Xylene SCHEMBL28244681 | 0.72 | CES1 (0.42) | PDK1PDK2PDK3PDK4TSHR | |
| O-Xylene SCHEMBL14634681 | 0.72 | CES1 (0.42) | PDK1PDK2PDK3PDK4TSHR | |
| SCHEMBL25095439 | 0.72 | PDK1 (0.55) | PDK1PDK2PDK3PDK4GAA | |
| O-Xylene SCHEMBL27872110 | 0.71 | CTSD (0.44) | GAATSHRACHERAB9ANPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108794427-B | Synthetic method of 1,3, 4-thiadiazole derivative | 江苏快达农化股份有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-108794427-A | A kind of synthetic method of 1,3,4- thiadiazoles derivatives | 江苏快达农化股份有限公司 | 2018-11-13 | — | — | CN | disclosed |