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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.78 |
| ▸ | HMGCR | P04035 | 1/20 | 0.78 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.62 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | SNCA | P37840 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
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 SCHEMBL528746 | 0.88 | HMGCR (1.00) | CYP3A4HMGCRNFE2L2ABCG2ALDH1A1 | |
| Cis-Asarone SCHEMBL528747 | 0.88 | HMGCR (1.00) | CYP3A4HMGCRNFE2L2ABCG2ALDH1A1 | |
| Cis-Asarone SCHEMBL29655982 | 0.88 | HMGCR (1.00) | CYP3A4HMGCRNFE2L2ABCG2ALDH1A1 | |
| Trans-Asarone SCHEMBL940800 | 0.88 | HMGCR (1.00) | CYP3A4HMGCRNFE2L2ABCG2ALDH1A1 | |
| Trans-Asarone SCHEMBL29433647 | 0.88 | HMGCR (1.00) | CYP3A4HMGCRNFE2L2ABCG2ALDH1A1 | |
| Trans-Asarone SCHEMBL29268894 | 0.86 | HMGCR (0.95) | CYP3A4HMGCRNFE2L2ABCG2ALDH1A1 | |
| Trans-Asarone SCHEMBL30487993 | 0.85 | HMGCR (0.57) | CYP3A4HMGCRNFE2L2ABCG2ALDH1A1 | |
| Trans-Asarone SCHEMBL27514432 | 0.82 | HMGCR (0.66) | CYP3A4HMGCRNFE2L2ABCG2ALDH1A1 | |
| SCHEMBL24728151 | 0.79 | NFE2L2 (0.76) | CYP3A4HMGCRNFE2L2ABCG2ALDH1A1 | |
| SCHEMBL715804 | 0.79 | NFE2L2 (0.76) | CYP3A4HMGCRNFE2L2ABCG2ALDH1A1 |
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 4 patents. 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 | claimed |
| CN-113387804-B | Synthesis method of alpha-asarone acetate and alpha-octanol | 西安石油大学 | 2023-05-02 | — | — | CN | disclosed |
| CN-113387804-B | Synthesis method of alpha-asarone acetate and alpha-octanol | 西安石油大学 | 2023-05-02 | — | — | CN | disclosed |
| CN-113387804-B | Synthesis method of alpha-asarone acetate and alpha-octanol | 西安石油大学 | 2023-05-02 | — | — | CN | disclosed |