Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL4097446 | 1.00 | NPC1 (0.44) | NPC1ALDH1A1KDM4EGAACRHBP | |
| SCHEMBL8606873 | 0.76 | ALDH1A1 (0.45) | NPC1ALDH1A1KDM4EGAANR1H3 | |
| SCHEMBL4090427 | 0.76 | ALDH1A1 (0.46) | ALDH1A1GRM1NR1H3MAPTPPARA | |
| SCHEMBL12509556 | 0.75 | KCNJ1 (0.46) | NPC1ALDH1A1KDM4EGAACRHBP | |
| SCHEMBL1922080 | 0.75 | SMN1; SMN2 (0.56) | NPC1ALDH1A1KDM4EGAAGRM1 | |
| SCHEMBL11584879 | 0.75 | NPC1 (0.68) | NPC1ALDH1A1KDM4EGAACRHBP | |
| SCHEMBL30817655 | 0.74 | NPC1 (0.44) | NPC1ALDH1A1KDM4EGAAGRM1 | |
| SCHEMBL29176809 | 0.74 | NPC1 (0.44) | NPC1ALDH1A1KDM4EGAAGRM1 | |
| SCHEMBL4594655 | 0.74 | NR1H3 (0.62) | GAANR1H3PPARAMEN1KMT2A | |
| Bromide SCHEMBL4875685 | 0.73 | NR1H3 (0.60) | GAANR1H3PPARAMEN1KMT2A |
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-117756782-A | Preparation method of arbeli intermediate 5- [ (4-ethylpiperazine-1-yl) methyl ] pyridin-2-amine | 江苏希迪制药有限公司 | 2024-03-26 | — | — | CN | claimed |
| CN-117756782-A | Preparation method of arbeli intermediate 5- [ (4-ethylpiperazine-1-yl) methyl ] pyridin-2-amine | 江苏希迪制药有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-117720459-A | Preparation process of arbeli intermediate 5- [ (4-ethylpiperazine-1-yl) methyl ] pyridin-2-amine | 江苏希迪制药有限公司 | 2024-03-19 | — | — | CN | disclosed |