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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL133341 | 0.98 | TSHR (0.48) | TSHRCYP1A2ALDH1A1CYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL328882 | 0.98 | TSHR (0.48) | TSHRCYP1A2ALDH1A1CYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL27993794 | 0.96 | TSHR (0.47) | TSHRCYP1A2ALDH1A1CYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL10484555 | 0.96 | CYP1A2 (0.47) | TSHRCYP1A2ALDH1A1CYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL328881 | 0.96 | TSHR (0.47) | TSHRCYP1A2ALDH1A1CYP2D6CYP2C19 | |
| Tetraphenylphosphonium SCHEMBL8143595 | 0.94 | TSHR (0.43) | TSHRCYP1A2ALDH1A1CYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL1651995 | 0.94 | TSHR (0.46) | TSHRCYP1A2ALDH1A1CYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL10580400 | 0.94 | TSHR (0.46) | TSHRCYP1A2ALDH1A1CYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL10422777 | 0.94 | TSHR (0.46) | TSHRCYP1A2ALDH1A1CYP2D6CYP2C19 | |
| Bicarbonate SCHEMBL1144353 | 0.92 | CYP1A2 (0.50) | TSHRCYP1A2ALDH1A1CYP2D6CYP2C19 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-1131131-A | — | — | None | — | — | JP | disclosed |
| US-5216045-A | A blend of advanced cationic epoxy resins and polyepoxides for electrodeposition; protective coatings; automobiles; low viscosity; thick films; smooth surfaces | THE DOW CHEMICAL COMPANY (US) | 1993-06-01 | — | — | US | disclosed |
| US-4946569-A | Controlled film build epoxy coatings applied by cathodic electrodeposition | THE DOW CHEMICAL COMPANY (US) | 1990-08-07 | — | — | US | disclosed |
| US-4883572-A | CATIONIC RESINS, BLENDS | THE DOW CHEMICAL COMPANY (US) | 1989-11-28 | — | — | US | disclosed |
| JP-H01131131-A | OPTICALLY ACTIVE SUBSTANCE, ITS PRODUCTION AND LIQUID CRYSTAL COMPOSITION CONTAINING SAID SUBSTANCE | CANON INC | 1989-05-24 | — | — | JP | disclosed |
| US-4755570-A | Polysulfide modified epoxy resins | THE DOW CHEMICAL COMPANY (US) | 1988-07-05 | — | — | US | disclosed |
| WO-1987006242-A1 | LOW GLOSS, HIGH IMPACT STRENGTH POWDER COATING RESINS | THE DOW CHEMICAL COMPANY (US) | 1987-10-22 | — | — | WO | disclosed |
| EP-0240984-A2 | Improved rheology low class, high impact strength powder coating resins | THE DOW CHEMICAL COMPANY (US) | 1987-10-14 | — | — | EP | disclosed |
| US-4692500-A | Polysulfide modified epoxy resins | THE DOW CHEMICAL COMPANY (US) | 1987-09-08 | — | — | US | disclosed |