Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.63 |
| ▸ | PTPRB | P23467 | 1/20 | 0.59 |
| ▸ | CDC25A | P30304 | 1/20 | 0.59 |
| ▸ | CDC25B | P30305 | 1/20 | 0.59 |
| ▸ | PTEN | P60484 | 1/20 | 0.59 |
| ▸ | PTPMT1 | Q8WUK0 | 1/20 | 0.59 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | SELL | P14151 | 1/20 | 0.50 |
| ▸ | SELP | P16109 | 1/20 | 0.50 |
| ▸ | SELE | P16581 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4407150 | 1.00 | KEAP1 (0.63) | KEAP1PTPRBCDC25ACDC25BPTEN | |
| SCHEMBL70271 | 0.92 | KEAP1 (0.74) | KEAP1PTPRBCDC25ACDC25BPTEN | |
| SCHEMBL4402323 | 0.90 | AKR1B1 (0.62) | KEAP1FFAR1AKR1B1SELLSELP | |
| Hydrochloric Acid SCHEMBL10982620 | 0.90 | KEAP1 (0.71) | KEAP1PTPRBCDC25ACDC25BPTEN | |
| SCHEMBL27780871 | 0.89 | SMN1; SMN2 (0.66) | KEAP1PTPRBCDC25ACDC25BPTEN | |
| SCHEMBL70565 | 0.87 | AKR1B1 (0.71) | AKR1B1SELPSELECYP1A2CYP2C19 | |
| SCHEMBL27697776 | 0.87 | KEAP1 (0.57) | KEAP1PTPRBCDC25ACDC25BPTEN | |
| SCHEMBL8435278 | 0.86 | FFAR1 (0.80) | KEAP1PTPRBCDC25ACDC25BPTEN | |
| Hydrochloric Acid SCHEMBL8922940 | 0.85 | AKR1B1 (0.68) | AKR1B1SELPSELECYP1A2CYP2C19 | |
| SCHEMBL5968748 | 0.84 | AKR1B1 (0.56) | AKR1B1SELLSELPSELECYP1A2 |
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 1 patent. 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 |