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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 4/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11548463 | 0.95 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3HTR1AOPRM1 | |
| SCHEMBL11548467 | 0.95 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3HTR1AOPRM1 | |
| SCHEMBL11553404 | 0.95 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3HTR1AOPRM1 | |
| Bromide SCHEMBL11547860 | 0.94 | SLC6A4 (0.59) | SLC6A4SLC6A2SLC6A3HTR1AOPRM1 | |
| Bromide SCHEMBL11547863 | 0.94 | SLC6A4 (0.59) | SLC6A4SLC6A2SLC6A3HTR1AOPRM1 | |
| SCHEMBL11194100 | 0.88 | SLC6A4 (0.61) | SLC6A4SLC6A2SLC6A3HTR1AOPRM1 | |
| SCHEMBL11194103 | 0.88 | SLC6A4 (0.61) | SLC6A4SLC6A2SLC6A3HTR1AOPRM1 | |
| SCHEMBL11536050 | 0.88 | SLC6A4 (0.61) | SLC6A4SLC6A2SLC6A3HTR1AOPRM1 | |
| SCHEMBL11551237 | 0.85 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL11539814 | 0.82 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3OPRM1OPRK1 |
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-4141893-A | Decahydrocyclopent[c]azepines | ELI LILLY AND COMPANY (US) | 1979-02-27 | — | — | US | disclosed |