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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.42 |
| ▸ | LAP3 | P28838 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 2/20 | 0.36 |
| ▸ | GABRD | O14764 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.36 |
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 SCHEMBL10874504 | 0.97 | FFAR3 (0.47) | FFAR3LCKFYNSLC1A3SLC1A2 | |
| Acetic Acid SCHEMBL6280777 | 0.97 | — | — | |
| Acetic Acid SCHEMBL242246 | 0.97 | FFAR3 (0.47) | FFAR3LCKFYNSLC1A3SLC1A2 | |
| Acetic Acid SCHEMBL19350438 | 0.97 | FFAR3 (0.47) | FFAR3LCKFYNSLC1A3SLC1A2 | |
| Acetic Acid SCHEMBL8154401 | 0.94 | SLC1A3 (0.39) | FFAR3LCKFYNSLC1A3SLC1A2 | |
| Acetic Acid SCHEMBL9737099 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNSLC1A3SLC1A2 | |
| Acetic Acid SCHEMBL9644947 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNSLC1A3SLC1A2 | |
| Acetic Acid SCHEMBL5351332 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNSLC1A3SLC1A2 | |
| Carbamic Acid SCHEMBL9280663 | 0.84 | — | — | |
| Oxalic Acid SCHEMBL7607255 | 0.84 | SLC1A3 (0.44) | FFAR3SLC1A3SLC1A2SLC1A1LAP3 |
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-0284594-A2 | Process for preparing (s) (+)-4,4'-(1-methyl-1,2-ethanediyl)-bis (2,6-piperazinedione) | ERBAMONT, INC. (US) | 1988-09-28 | — | — | EP | disclosed |