Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trans-Asarone. 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 | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trans-Asarone SCHEMBL30487992 | 0.85 | CYP3A4 (0.78) | HMGCRCYP3A4NFE2L2ABCG2POLB | |
| Trans-Asarone SCHEMBL29433647 | 0.75 | HMGCR (1.00) | HMGCRCYP3A4NFE2L2ABCG2ALDH1A1 | |
| Cis-Asarone SCHEMBL29655982 | 0.75 | HMGCR (1.00) | HMGCRCYP3A4NFE2L2ABCG2ALDH1A1 | |
| Trans-Asarone SCHEMBL940800 | 0.75 | HMGCR (1.00) | HMGCRCYP3A4NFE2L2ABCG2ALDH1A1 | |
| Cis-Asarone SCHEMBL528747 | 0.75 | HMGCR (1.00) | HMGCRCYP3A4NFE2L2ABCG2ALDH1A1 | |
| Trans-Asarone SCHEMBL528746 | 0.75 | HMGCR (1.00) | HMGCRCYP3A4NFE2L2ABCG2ALDH1A1 | |
| SCHEMBL4431943 | 0.75 | MAPT (0.60) | CYP3A4NFE2L2ALDH1A1MAPTCYP1A1 | |
| SCHEMBL4431940 | 0.75 | MAPT (0.60) | CYP3A4NFE2L2ALDH1A1MAPTCYP1A1 | |
| Trans-Asarone SCHEMBL29268894 | 0.74 | HMGCR (0.95) | HMGCRCYP3A4NFE2L2ABCG2ALDH1A1 | |
| Trans-Asarone SCHEMBL27514432 | 0.73 | HMGCR (0.66) | HMGCRCYP3A4NFE2L2ABCG2POLB |
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-113387804-B | Synthesis method of alpha-asarone acetate and alpha-octanol | 西安石油大学 | 2023-05-02 | — | — | CN | disclosed |