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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 6/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.41 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL358608 | 0.91 | ADRB2 (0.46) | THRATHRBADRB2ADRB1 | |
| SCHEMBL5704525 | 0.91 | ADRB2 (0.46) | THRATHRBADRB2ADRB1 | |
| Stearic Acid SCHEMBL12485509 | 0.86 | CYSLTR2 (0.57) | THRATHRBPPARAPPARGLTB4R | |
| SCHEMBL10599953 | 0.85 | THRA (0.50) | THRATHRBADRB2ADRB1PPARA | |
| SCHEMBL7648680 | 0.85 | PPARG (0.52) | THRATHRBADRB2ADRB1PPARA | |
| SCHEMBL28397408 | 0.85 | THRA (0.50) | THRATHRBADRB2ADRB1PPARA | |
| SCHEMBL19181639 | 0.84 | THRA (0.51) | THRATHRBADRB2ADRB1PPARA | |
| Bicarbonate SCHEMBL27570622 | 0.82 | CYSLTR2 (0.47) | PPARAPPARGLTB4RCYSLTR2CYSLTR1 | |
| Acetic Acid SCHEMBL7648682 | 0.82 | MGLL (0.49) | PPARAPPARGCYSLTR2CYSLTR1 | |
| SCHEMBL247213 | 0.81 | THRA (0.46) | THRATHRBADRB2ADRB1PPARA |
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-5282987-A | Surfactants for cleaning and washing, petroleum recovery, emulsifiers; high viscosity | HUELS AKTIENGESELLSCHAFT (DE) | 1994-02-01 | — | — | US | disclosed |