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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.74 |
| ▸ | HPGD | P15428 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL12813866 | 0.92 | ALDH1A1 (0.78) | ALDH1A1HPGDKDM4EHSD17B10TRPA1 | |
| Benzene SCHEMBL28244921 | 0.89 | ALDH1A1 (0.93) | ALDH1A1HPGDKDM4EHSD17B10TRPA1 | |
| Acetic Acid SCHEMBL4221099 | 0.88 | TRPA1 (0.77) | ALDH1A1HPGDKDM4EHSD17B10TRPA1 | |
| SCHEMBL11575272 | 0.86 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4EHSD17B10TRPA1 | |
| SCHEMBL2500374 | 0.86 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4EHSD17B10TRPA1 | |
| SCHEMBL64141 | 0.86 | — | — | |
| Formaldehyde SCHEMBL11059015 | 0.83 | ALDH1A1 (0.82) | ALDH1A1HPGDKDM4EHSD17B10TRPA1 | |
| SCHEMBL2158883 | 0.83 | ALDH1A1 (0.93) | ALDH1A1HPGDKDM4EHSD17B10TRPA1 | |
| Hydrochloric Acid SCHEMBL7078680 | 0.83 | ALDH1A1 (0.93) | ALDH1A1HPGDKDM4EHSD17B10TRPA1 | |
| Methane SCHEMBL6578174 | 0.83 | ALDH1A1 (0.93) | ALDH1A1HPGDKDM4EHSD17B10TRPA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115368226-B | Hydroxy aryl ketone and preparation method thereof | 中国石油化工股份有限公司 | 2024-05-28 | — | — | CN | claimed |
| CN-115368226-A | Hydroxy arone and preparation method thereof | 中国石油化工股份有限公司 | 2022-11-22 | — | — | CN | claimed |
| CN-107602454-A | Novel sulfonyl amine compound and its production and use | 佛山科学技术学院 | 2018-01-19 | — | — | CN | claimed |
| CN-115368226-B | Hydroxy aryl ketone and preparation method thereof | 中国石油化工股份有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-115368226-A | Hydroxy arone and preparation method thereof | 中国石油化工股份有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-107602454-A | Novel sulfonyl amine compound and its production and use | 佛山科学技术学院 | 2018-01-19 | — | — | CN | disclosed |