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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| Lactic Acid SCHEMBL7768220 | 0.91 | GPR84 (0.45) | THRATHRBS1PR2S1PR1S1PR3 | |
| Malonic Acid SCHEMBL7765984 | 0.91 | S1PR1 (0.43) | THRATHRBS1PR2S1PR1S1PR3 | |
| Succinic Acid SCHEMBL7768273 | 0.91 | S1PR1 (0.48) | THRATHRBS1PR2S1PR1S1PR3 | |
| Cadaverine Tartrate SCHEMBL7764537 | 0.90 | GPR84 (0.44) | THRATHRBS1PR2S1PR1S1PR3 | |
| Adipic Acid SCHEMBL7764425 | 0.90 | FFAR4 (0.51) | S1PR2S1PR1S1PR3ALDH1A1GPR84 | |
| Hydrochloric Acid SCHEMBL7764492 | 0.89 | THRA (0.37) | THRATHRBALDH1A1 | |
| Hydrochloric Acid SCHEMBL8720967 | 0.89 | THRA (0.37) | THRATHRBALDH1A1 | |
| Hydrochloric Acid SCHEMBL8719708 | 0.89 | THRA (0.37) | THRATHRBALDH1A1 | |
| Hydrochloric Acid SCHEMBL7760906 | 0.89 | THRA (0.37) | THRATHRBALDH1A1 | |
| Acetic Acid SCHEMBL7764388 | 0.88 | CNR2 (0.42) | ALDH1A1CNR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0825175-B1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO (JP) | 2001-06-13 | — | — | EP | disclosed |
| EP-0825175-A1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO., LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |