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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Cyclohexanol SCHEMBL868909 | 1.00 | TSHR (0.59) | TSHRFFAR3LCKFYNCES2 | |
| Cyclopentanol SCHEMBL20262092 | 0.97 | TSHR (0.62) | TSHRFFAR3LCKFYNCES2 | |
| Cyclohexanol SCHEMBL28160034 | 0.91 | TSHR (0.62) | TSHRCES2CES1EPHX1EPHX2 | |
| Cyclohexanol SCHEMBL30598077 | 0.88 | TSHR (0.67) | TSHRCES2CES1EPHX1EPHX2 | |
| Cyclohexanol SCHEMBL241715 | 0.88 | TSHR (0.67) | TSHRCES2CES1EPHX1EPHX2 | |
| Cyclohexanol SCHEMBL9465361 | 0.86 | TSHR (0.56) | TSHRCES2CES1EPHX1EPHX2 | |
| Cyclohexanol SCHEMBL9692875 | 0.85 | TSHR (0.62) | TSHRCES2CES1EPHX1EPHX2 | |
| Methacrylic Acid SCHEMBL23706357 | 0.85 | TSHR (0.48) | TSHRCES2CES1EPHX1EPHX2 | |
| Cyclohexanol SCHEMBL3132477 | 0.85 | TSHR (0.48) | TSHRCES2CES1EPHX1EPHX2 | |
| Cyclohexanol SCHEMBL30365156 | 0.85 | TSHR (0.48) | TSHRCES2CES1EPHX1EPHX2 |
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-7019175-B2 | Catalytic oxidation of alkane, particularly cycloalkanes, to ketones, alcohols and acids using a 1,1,2,3-tetraoxo-, a 1,1,2-trioxo,3-thioxo, a 1,1-dioxo,2-hydroxy-,3-oxo- or thioxo-isothiazole or analogous compound; activation of oxygen or air and promoting the oxidation at mild temperatures | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 2006-03-28 | — | — | US | disclosed |
| US-20050020861-A1 | Catalytic oxidatin process | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 2005-01-27 | — | — | US | disclosed |
| EP-1395541-A1 | CATALYTIC OXIDATION PROCESS | Imperial Chemical Industries PLC (GB) | 2004-03-10 | — | — | EP | disclosed |
| WO-2002100810-A1 | CATALYTIC OXIDATION PROCESS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 2002-12-19 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050020861-A1 | Catalytic oxidatin process | AOC2, AOX1, NOX5 | TSHR 3212/4885FFAR3 1966/4885LCK 1038/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.