Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | PPARA | Q07869 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 2/20 | 0.51 |
| ▸ | CNR1 | P21554 | 3/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.50 |
| ▸ | FNTA | P49354 | 1/20 | 0.50 |
| ▸ | FNTB | P49356 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28585824 | 0.95 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL28603253 | 0.94 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL28602002 | 0.94 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL28591350 | 0.93 | NR4A2 (0.64) | CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL28600107 | 0.92 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL28917794 | 0.92 | NPC1 (0.63) | CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL28581056 | 0.91 | POLB (0.57) | CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL2610067 | 0.88 | CYP1A2 (0.81) | CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL24542755 | 0.86 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL4422898 | 0.84 | CNR1 (0.61) | PPARAMAOAMAOBNR4A2PPARG |
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 |