Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Avocadyne. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 5/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.81 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Avocadyne SCHEMBL18730915 | 0.90 | USP2 (1.00) | USP2CYP3A4SMN1; SMN2ALDH1A1MAPT | |
| Avocadyne SCHEMBL1970908 | 0.90 | USP2 (1.00) | USP2CYP3A4SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL12326382 | 0.82 | USP2 (0.66) | USP2CYP3A4SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL12326385 | 0.82 | USP2 (0.66) | USP2CYP3A4SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL16086099 | 0.80 | USP2 (0.81) | USP2CYP3A4SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL1969639 | 0.79 | USP2 (0.58) | USP2CYP3A4SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL7074943 | 0.78 | USP2 (0.77) | USP2CYP3A4SMN1; SMN2ALDH1A1MAPT | |
| Avocadyne SCHEMBL29564402 | 0.78 | USP2 (1.00) | USP2CYP3A4SMN1; SMN2ALDH1A1MAPT | |
| Avocadyne Acetate SCHEMBL12235379 | 0.78 | USP2 (1.00) | USP2CYP3A4SMN1; SMN2ALDH1A1MAPT | |
| Avocadyne Acetate SCHEMBL31368571 | 0.78 | USP2 (1.00) | USP2CYP3A4SMN1; SMN2ALDH1A1MAPT |
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-117255622-A | Deacetylation method, composition and use thereof | 弗门尼舍有限公司 | 2023-12-19 | — | — | CN | disclosed |