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 | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | BACE1 | P56817 | 2/20 | 0.49 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9635583 | 1.00 | GPR35 (0.56) | GPR35NPSR1RXFP1BACE1SIRT6 | |
| SCHEMBL68980 | 0.90 | GPR35 (0.67) | GPR35NPSR1RXFP1BACE1SIRT6 | |
| SCHEMBL29479746 | 0.90 | GPR35 (0.67) | GPR35NPSR1RXFP1BACE1SIRT6 | |
| Hydrochloric Acid SCHEMBL27548476 | 0.88 | GPR35 (0.64) | GPR35NPSR1RXFP1BACE1SIRT6 | |
| Methoxymethane SCHEMBL11671269 | 0.87 | GPR35 (0.58) | GPR35NPSR1RXFP1BACE1SIRT6 | |
| SCHEMBL10920082 | 0.84 | GPR35 (0.55) | GPR35NPSR1RXFP1BACE1SIRT6 | |
| Formic Acid SCHEMBL28313287 | 0.83 | GPR35 (0.58) | GPR35NPSR1RXFP1BACE1SIRT6 | |
| SCHEMBL9499320 | 0.79 | GPR35 (0.62) | GPR35NPSR1RXFP1BACE1SIRT6 | |
| SCHEMBL4456465 | 0.78 | MAPT (0.52) | GPR35NPSR1RXFP1BACE1TSHR | |
| SCHEMBL4305881 | 0.78 | GPR35 (0.56) | GPR35SIRT6TSHRCASP6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0296221-B1 | PROCESS FOR PREPARING 4,6-DINITRORESORCINOL | THE DOW CHEMICAL COMPANY (US) | 1992-05-13 | — | — | EP | claimed |