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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL321116 | 0.96 | THRB (0.57) | THRBTSHRALDH1A1MGAMGAA | |
| Methacrylic Acid SCHEMBL17360628 | 0.94 | THRB (0.52) | THRBTSHRALDH1A1MGAMGAA | |
| Dimethylamine SCHEMBL7516850 | 0.93 | THRB (0.55) | THRBTSHRALDH1A1MGAMGAA | |
| Dimethylamine SCHEMBL2982086 | 0.93 | THRB (0.55) | THRBTSHRALDH1A1MGAMGAA | |
| Acetic Acid SCHEMBL28298395 | 0.93 | THRB (0.59) | THRBTSHRALDH1A1MGAMGAA | |
| Propionic Acid SCHEMBL8027701 | 0.92 | THRB (0.50) | THRBTSHRALDH1A1MGAMGAA | |
| Dimethylamine SCHEMBL8665783 | 0.91 | THRB (0.53) | THRBTSHRALDH1A1MGAMGAA | |
| Acetic Acid SCHEMBL28932662 | 0.91 | THRB (0.57) | THRBTSHRALDH1A1MGAMGAA | |
| Bicarbonate SCHEMBL10996730 | 0.89 | THRB (0.59) | THRBTSHRALDH1A1MGAMGAA | |
| SCHEMBL15030 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5760136-A | FORMING AN ADDITION-CONDENSATION COPOLYMER BY POLYMERIZING AN AZO-CONTAINING POLYSILOXANE AND AN UNSATURATED MONOMER; CATIONIC AND NONIONIC POLYMERS; POLYAMPHOLYTES; COATINGS; ADHESIVES; PAINTS; HAIR COSMETICS | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-02 | — | — | US | claimed |
| EP-0779318-B1 | Silicon-containing block copolymer | WAKO PURE CHEMICAL INDUSTIES L (JP) | 2000-02-16 | — | — | EP | disclosed |
| EP-0779318-A1 | Silicon-containing block copolymer | Wako Pure Chemical Industries, Ltd. (JP) | 1997-06-18 | — | — | EP | disclosed |