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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.60 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.60 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.60 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.60 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.54 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.53 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | LCK | P06239 | 1/20 | 0.52 |
| ▸ | PPARD | Q03181 | 1/20 | 0.52 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.52 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.52 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.50 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.50 |
| ▸ | LAP3 | P28838 | 1/20 | 0.50 |
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 SCHEMBL9782794 | 1.00 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL28014548 | 1.00 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL28860545 | 1.00 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL10704212 | 1.00 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL18237031 | 1.00 | ALDH1A1 (0.62) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL29119546 | 0.98 | ALDH1A1 (0.60) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL23004301 | 0.93 | ALDH1A1 (0.66) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Bicarbonate SCHEMBL18277700 | 0.93 | ALDH1A1 (0.64) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL11106145 | 0.92 | ALDH1A1 (0.55) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| Acetic Acid SCHEMBL5538735 | 0.91 | ALDH1A1 (0.53) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 |
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-6187224-B1 | ORGANIC SPIRO COMPOUNDS WHICH COMPRISE A CONJUGATED SYSTEM | AXIVA GMBH (DE) | 2001-02-13 | — | — | US | disclosed |