Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28558390 | 0.87 | BTK (0.42) | BTKKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL28385813 | 0.82 | CTSK (0.40) | BTKKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL20599742 | 0.81 | NR1H2 (0.53) | NR1H2BTKTDP1KMT2AALDH1A1 | |
| SCHEMBL31673926 | 0.81 | NR1H2 (0.53) | NR1H2BTKTDP1KMT2AALDH1A1 | |
| SCHEMBL28558391 | 0.81 | BTK (0.49) | BTKKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL28386215 | 0.80 | CA12 (0.36) | BTKKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL2540692 | 0.80 | BTK (0.42) | BTKKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL4706132 | 0.77 | BTK (0.47) | BTKKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL1771267 | 0.77 | BTK (0.51) | BTKTDP1KMT2AALDH1A1MEN1 | |
| SCHEMBL27914275 | 0.76 | BTK (0.38) | BTKKMT2AALDH1A1MEN1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111100086-B | 1,3, 4-oxadiazole-2-cyclobutyl compound and preparation method thereof | 南京圣和药业股份有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-111100087-B | 1,3, 4-oxadiazole-2-cyclobutyl compound and preparation method and application thereof | 南京圣和药业股份有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-111100087-A | 1,3, 4-oxadiazole-2-cyclobutyl compound and preparation method and application thereof | 南京圣和药业股份有限公司 | 2020-05-05 | — | — | CN | disclosed |
| CN-111100086-A | 1,3, 4-oxadiazole-2-cyclobutyl compound and preparation method thereof | 南京圣和药业股份有限公司 | 2020-05-05 | — | — | CN | disclosed |