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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | BBOX1 | O75936 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | CPT1A | P50416 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Glycine SCHEMBL290022 | 0.86 | BBOX1 (0.41) | CA1BBOX1CYP2D6CYP2C19FFAR3 | |
| L-Lactic Acid SCHEMBL27743481 | 0.82 | TSHR (0.37) | CA1BBOX1CYP2D6CYP2C19FFAR3 | |
| SCHEMBL352085 | 0.81 | — | — | |
| Acetic Acid SCHEMBL27957649 | 0.79 | DNM1 (0.46) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| Acetic Acid SCHEMBL3684341 | 0.79 | CA1 (0.44) | CA1BBOX1CYP2C19FFAR3HDAC3 | |
| Acetic Acid SCHEMBL557807 | 0.79 | CA1 (0.44) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL4850830 | 0.78 | — | — | |
| Citric Acid SCHEMBL27511805 | 0.76 | CA4 (0.55) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| Tetrapropylammonium SCHEMBL109162 | 0.76 | SLC22A1 (0.59) | CA1BBOX1FFAR3HDAC3HDAC1 | |
| Acetic Acid SCHEMBL10911055 | 0.75 | CA1 (0.40) | CA1BBOX1FFAR3HDAC3HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7125825-B2 | Amidoamine salt-based viscosifying agents and methods of use | TOMAH PRODUCTS, INC. (US) | 2006-10-24 | — | — | US | disclosed |
| WO-2004096942-A1 | AMIDOAMINE SALT-BASED VISCOSIFYING AGENTS AND METHOD OF USE | TOMAH PRODUCTS, INC. (US) | 2004-11-11 | — | — | WO | disclosed |
| US-20040214725-A1 | Amidoamine salt-based viscosifying agents and methods of use | TOMAH PRODUCTS, INC. | 2004-10-28 | — | — | US | disclosed |
| US-6361940-B1 | IMMOBILIZATION; GENETIC ENGINEERING | QIAGEN GENOMICS, INC. | 2002-03-26 | — | — | US | disclosed |