Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | NPY1R | P25929 | 1/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.51 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29366799 | 1.00 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3694272 | 0.83 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL7739519 | 0.82 | TNKS (0.71) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL980203 | 0.81 | TNKS (0.66) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL7734676 | 0.80 | MEN1 (0.58) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3981377 | 0.79 | TNKS (0.69) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL4659168 | 0.77 | MAOB (0.78) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL8707447 | 0.77 | MAOB (0.50) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL2056341 | 0.76 | MAOB (0.62) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL14966822 | 0.76 | ALDH1A1 (0.54) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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-112300026-B | 4-benzo five-membered ring-phenyl ketoxime ester compound and preparation method and application thereof | 同济大学 | 2022-02-01 | — | — | CN | disclosed |
| CN-112300026-A | 4-benzo five-membered ring-phenyl ketoxime ester compound and preparation method and application thereof | 同济大学 | 2021-02-02 | — | — | CN | disclosed |