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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.41 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | FABP3 | P05413 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL27796757 | 0.88 | ALDH1A1 (0.46) | ALDH1A1CES2CES1HPGDPTGS2 | |
| Benzene SCHEMBL28236538 | 0.87 | TSHR (0.53) | ALDH1A1TSHRLMNAACHECYP1A2 | |
| Urea SCHEMBL28979412 | 0.86 | KDM4E (0.45) | ALDH1A1CES2CES1POLBMAPT | |
| 1,2-Dichlorobenzene SCHEMBL27754908 | 0.85 | TSHR (0.59) | ALDH1A1CES2CES1POLBTSHR | |
| 1,2-Dichlorobenzene SCHEMBL8528441 | 0.85 | TSHR (0.59) | ALDH1A1CES2CES1POLBTSHR | |
| Benzene SCHEMBL28158372 | 0.85 | TSHR (0.50) | ALDH1A1TSHRLMNAACHECYP3A4 | |
| SCHEMBL12792 | 0.84 | — | — | |
| SCHEMBL14127455 | 0.84 | — | — | |
| SCHEMBL29432874 | 0.84 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL29087567 | 0.82 | TSHR (0.56) | ALDH1A1CES2CES1POLBTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-4341255-A1 | MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS | Eli Lilly and Company (US) | 2024-03-27 | — | — | EP | disclosed |
| CN-107488148-A | A kind of hydrocinnamamide insecticides and preparation method thereof | 安徽省黄淮兽药有限公司 | 2017-12-19 | — | — | CN | disclosed |
| EP-0983226-A1 | NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | MERCK PATENT GmbH (DE) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998052906-A1 | NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | MERCK PATENT GMBH (DE) | 1998-11-26 | — | — | WO | disclosed |