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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| 1,2-Dichlorobenzene SCHEMBL29087570 | 0.81 | TSHR (0.53) | POLBCES2CES1ALDH1A1LMNA | |
| SCHEMBL31005108 | 0.81 | TSHR (0.56) | POLBCES2CES1ALDH1A1LMNA | |
| SCHEMBL1011168 | 0.81 | TSHR (0.56) | POLBCES2CES1ALDH1A1LMNA | |
| 1,2-Dichlorobenzene SCHEMBL27801440 | 0.73 | TSHR (0.62) | POLBCES2CES1ALDH1A1LMNA | |
| Acetic Acid SCHEMBL7877204 | 0.72 | CES2 (0.40) | POLBCES2CES1ALDH1A1LMNA | |
| Acetic Acid SCHEMBL106040 | 0.72 | CA2 (0.44) | POLBCES2CES1ALDH1A1TSHR | |
| Acetic Acid SCHEMBL28728909 | 0.71 | ALDH1A1 (0.76) | POLBCES2CES1ALDH1A1LMNA | |
| Acetic Acid SCHEMBL8465174 | 0.71 | CES2 (0.45) | POLBCES2CES1ALDH1A1TSHR | |
| 1,2-Dichlorobenzene SCHEMBL8528441 | 0.71 | TSHR (0.59) | POLBCES2CES1ALDH1A1LMNA | |
| 1,2-Dichlorobenzene SCHEMBL5147145 | 0.71 | TSHR (0.59) | POLBCES2CES1ALDH1A1LMNA |
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-4399233-A | Process for preparing low molecular weight oxygenated compounds from syngas using novel catalyst system | TEXACO INC. (US) | 1983-08-16 | — | — | US | disclosed |