Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28497481 | 0.81 | CYP24A1 (0.47) | RAB9ASMN1; SMN2NPC1OPRM1DRD3 | |
| SCHEMBL28500074 | 0.80 | CYP24A1 (0.62) | GAAKDM4C | |
| SCHEMBL28508999 | 0.77 | CYP24A1 (0.68) | ALDH1A1HPGDRAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL22819409 | 0.72 | GAA (0.66) | GAAKDM4CALDH1A1MAPTHPGD | |
| SCHEMBL28502275 | 0.71 | RAB9A (0.52) | ALDH1A1MAPTHPGDRAB9ASMN1; SMN2 | |
| SCHEMBL1220183 | 0.69 | KDM4C (1.00) | GAAKDM4CALDH1A1MAPTHPGD | |
| SCHEMBL22819412 | 0.67 | KDM4C (0.69) | GAAKDM4CALDH1A1MAPTHPGD | |
| SCHEMBL1742676 | 0.67 | KDM4C (0.69) | GAAKDM4CALDH1A1MAPTHPGD | |
| SCHEMBL5095301 | 0.67 | ALDH1A1 (0.73) | GAAKDM4CALDH1A1MAPTHPGD | |
| SCHEMBL6325976 | 0.67 | CYP1A2 (0.52) | GAAALDH1A1MAPTHPGDSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112194629-A | Phenethyl azole derivative and preparation method and application thereof | 聊城大学 | 2021-01-08 | — | — | CN | claimed |
| CN-112194629-B | Phenethyl azole derivative and preparation method and application thereof | 聊城大学 | 2023-10-24 | — | — | CN | disclosed |
| CN-112194629-A | Phenethyl azole derivative and preparation method and application thereof | 聊城大学 | 2021-01-08 | — | — | CN | disclosed |