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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 7/20 | 0.48 |
| ▸ | LSS | P48449 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
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 SCHEMBL5574393 | 0.96 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL2204892 | 0.96 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL5574285 | 0.96 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL11125571 | 0.96 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL8378663 | 0.96 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL5573581 | 0.96 | LSS (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL5574989 | 0.94 | BBOX1 (0.48) | DNM1LSSHTTBBOX1CES2 | |
| Acetic Acid SCHEMBL28363254 | 0.90 | DNM1 (0.50) | DNM1LSSHTTBBOX1CES2 | |
| Bicarbonate SCHEMBL829819 | 0.89 | LSS (0.52) | DNM1LSSHTTBBOX1CES2 | |
| Bicarbonate SCHEMBL28711949 | 0.89 | LSS (0.52) | DNM1LSSHTTBBOX1CES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0830341-B1 | PROCESSES FOR THE PREPARATION OF 3-(METHYLTHIO)PROPANAL AND 2-HYDROXY-4-(METHYLTHIO)BUTANENITRILE | NOVUS INT INC (US) | 2001-09-05 | — | — | EP | disclosed |
| EP-0830341-A1 | PROCESSES FOR THE PREPARATION OF 3-(METHYLTHIO)PROPANAL AND 2-HYDROXY-4-(METHYLTHIO)BUTANENITRILE | Novus International, Inc. (US) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996040631-A1 | PROCESSES FOR THE PREPARATION OF 3-(METHYLTHIO)PROPANAL AND 2-HYDROXY-4-(METHYLTHIO)BUTANENITRILE | NOVUS INTERNATIONAL, INC. (US) | 1996-12-19 | — | — | WO | disclosed |