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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.47 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.47 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.47 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 6/20 | 0.56 |
| ▸ | HTR2A | P28223 | 5/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | HRH2 | P25021 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11585784 | 0.91 | HRH1 (0.66) | HRH1HTR2ASIGMAR1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL11679345 | 0.90 | HRH1 (0.63) | HRH1HTR2ASIGMAR1CHRM2CHRM1 | |
| SCHEMBL11584337 | 0.86 | SIGMAR1 (0.65) | HRH1HTR2ASIGMAR1CHRM2CHRM1 | |
| Diisopromine SCHEMBL25648 | 0.80 | HRH1 (0.63) | HRH1HTR2ASIGMAR1CHRM2CHRM1 | |
| Diisopromine SCHEMBL27588785 | 0.79 | KDM4E (0.55) | HRH1HTR2ASIGMAR1MTNR1AMTNR1B | |
| SCHEMBL10571239 | 0.78 | HRH1 (0.42) | HRH1HTR2ASIGMAR1CHRM2CHRM1 | |
| Diisopromine SCHEMBL11582569 | 0.78 | HRH1 (0.61) | HRH1HTR2ASIGMAR1CHRM2CHRM1 | |
| SCHEMBL27745393 | 0.75 | CHRM3 (0.59) | HRH1HTR2ASIGMAR1CHRM2CHRM1 | |
| SCHEMBL27745390 | 0.75 | CHRM3 (0.59) | HRH1HTR2ASIGMAR1CHRM2CHRM1 | |
| Acetic Acid SCHEMBL9848342 | 0.74 | TSHR (0.46) | HRH1HTR2ASIGMAR1MTNR1AMTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| US-4034011-A | 1,1-Diphenyl-4-(substituted-amino)butanes | ELI LILLY AND COMPANY (US) | 1977-07-05 | — | — | US | disclosed |