Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9694527 | 0.72 | MAOB (0.47) | BACE1HSD11B1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28069216 | 0.68 | PNMT (0.43) | CA1CA2CA12CA9CA4 | |
| SCHEMBL10427974 | 0.65 | ALDH1A1 (0.48) | KDM4EHTTALDH1A1CYP3A4MAPK1 | |
| SCHEMBL1568621 | 0.65 | GAA (0.44) | KDM4EGAAHTTALDH1A1CYP3A4 | |
| SCHEMBL799810 | 0.65 | BCHE (0.47) | KDM4EHTTCA1ALDH1A1RXFP1 | |
| SCHEMBL1568853 | 0.64 | CNR2 (0.47) | KDM4EHTTCA1ALDH1A1KMT2A | |
| SCHEMBL6680428 | 0.62 | CA1 (0.70) | KDM4EGAACA1CA2CA12 | |
| Hydrochloric Acid SCHEMBL3956091 | 0.60 | CA1 (0.71) | KDM4EGAACA1CA2CA12 | |
| SCHEMBL107396 | 0.60 | — | — | |
| SCHEMBL17102093 | 0.59 | DAO (0.35) | BACE1HSD11B1SLC6A3 |
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-102066347-B | Thiadiazoles oxygen benzene carbon amidine and the application as antibacterial thereof | 拜耳知识产权有限责任公司 | 2016-06-08 | — | — | CN | disclosed |