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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Ethohexadiol SCHEMBL27591299 | 0.91 | LMNA (0.79) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL9203322 | 0.88 | LMNA (0.80) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL3389796 | 0.85 | LMNA (0.68) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL65183 | 0.83 | LMNA (0.59) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL8956224 | 0.81 | LMNA (0.68) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL27752616 | 0.81 | LMNA (0.68) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL8757790 | 0.80 | LMNA (0.76) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL9775641 | 0.79 | LMNA (0.73) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL6701152 | 0.79 | LMNA (0.73) | LMNACHRM1AKR1A1CHRM3HTR2A | |
| Ethohexadiol SCHEMBL38007 | 0.78 | LMNA (1.00) | LMNATDP1TSHRCYP3A4CYP2D6 |
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-0216624-B1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-02-22 | — | — | EP | disclosed |