Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | PPARA | Q07869 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 1/20 | 0.46 |
| ▸ | FNTA | P49354 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28601995 | 0.94 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL28585824 | 0.90 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL28603253 | 0.89 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL28591350 | 0.88 | NR4A2 (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL28600107 | 0.87 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL28917794 | 0.87 | NPC1 (0.63) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL28581056 | 0.86 | POLB (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2610067 | 0.83 | CYP1A2 (0.81) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24542755 | 0.81 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24542785 | 0.81 | PPARA (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 |
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-113121379-B | AMPK agonist compounds or pharmaceutically acceptable salts or esters or solvates thereof and uses thereof | 中国药科大学 | 2022-11-25 | — | — | CN | disclosed |
| CN-113121379-A | AMPK agonist compounds or pharmaceutically acceptable salts or esters or solvates thereof and uses thereof | 中国药科大学 | 2021-07-16 | — | — | CN | disclosed |