Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.61 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | IAPP | P10997 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | BID | P55957 | 2/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27843896 | 0.93 | AKR1B1 (0.62) | AKR1B1HSPA5GABRA1GABRB2TSHR | |
| SCHEMBL51108 | 0.91 | — | — | |
| SCHEMBL29402855 | 0.91 | — | — | |
| Propionic Acid SCHEMBL27286991 | 0.89 | AKR1B1 (0.65) | AKR1B1HSPA5GABRA1GABRB2TSHR | |
| Benzene SCHEMBL28087895 | 0.88 | AKR1B1 (0.58) | AKR1B1HSPA5GABRA1GABRB2TSHR | |
| SCHEMBL7392161 | 0.88 | HSPA5 (0.59) | AKR1B1HSPA5GABRA1GABRB2TSHR | |
| SCHEMBL27541365 | 0.88 | HSPA5 (0.59) | AKR1B1HSPA5GABRA1GABRB2TSHR | |
| Ammonia Solution, Strong SCHEMBL267493 | 0.88 | HSPA5 (0.59) | AKR1B1HSPA5GABRA1GABRB2TSHR | |
| SCHEMBL27511484 | 0.88 | HSPA5 (0.59) | AKR1B1HSPA5GABRA1GABRB2TSHR | |
| Propane SCHEMBL27876137 | 0.88 | HSPA5 (0.59) | AKR1B1HSPA5GABRA1GABRB2TSHR |
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-111187675-B | Method for determining feeding ratio and distillation time of Rosa damascena | 北京市农林科学院 | 2022-11-25 | — | — | CN | claimed |
| CN-102753674-A | Process for producing high value products from biomass | GEOSYNFUELS LLC | 2012-10-24 | — | — | CN | disclosed |