Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2384365 | 0.96 | SMN1; SMN2 (0.46) | SMN1; SMN2CYP4Z1NLRP3GAAMGAM | |
| SCHEMBL10218953 | 0.91 | ALDH1A1 (0.44) | SMN1; SMN2CYP4Z1NLRP3GAAMGAM | |
| Bromide SCHEMBL5949312 | 0.89 | NLRP3 (0.42) | SMN1; SMN2CYP4Z1NLRP3GAAMGAM | |
| SCHEMBL13802188 | 0.89 | HSP90AB1 (0.55) | SMN1; SMN2CYP4Z1NLRP3GAAALDH1A1 | |
| SCHEMBL6372557 | 0.87 | MAPT (0.48) | SMN1; SMN2CYP4Z1NLRP3GAAALDH1A1 | |
| SCHEMBL6367742 | 0.86 | SMN1; SMN2 (0.48) | SMN1; SMN2GAAALDH1A1MAPTNPC1 | |
| SCHEMBL5627469 | 0.84 | SMN1; SMN2 (0.46) | SMN1; SMN2CYP4Z1GAAMGAMSI | |
| SCHEMBL24650659 | 0.83 | GPR35 (0.43) | SMN1; SMN2ALDH1A1MAPTHTTL3MBTL1 | |
| SCHEMBL28647746 | 0.82 | SLC7A5 (0.49) | SMN1; SMN2CYP4Z1NLRP3GAAALDH1A1 | |
| SCHEMBL68412 | 0.82 | L3MBTL1 (0.50) | SMN1; SMN2CYP4Z1ALDH1A1MAPTCYP4F2 |
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-113549010-B | Preparation and application of compound with AMPK (AMPK) agonistic activity and prodrug thereof | 中国科学院上海药物研究所 | 2023-10-20 | — | — | CN | disclosed |
| CN-113549010-A | Preparation and application of compound with AMPK agonistic activity and prodrug thereof | 中国科学院上海药物研究所 | 2021-10-26 | — | — | CN | disclosed |