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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 2/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL84008 | 0.98 | FFAR1 (0.43) | FFAR1S1PR1S1PR3S1PR2HPGD | |
| SCHEMBL70719 | 0.87 | SYK (0.44) | HPGDADRB2ADRB1KDM5ASYK | |
| SCHEMBL68044 | 0.84 | RXRA (0.43) | ADRB2ADRB1KDM5AADRB3TRPV1 | |
| SCHEMBL68087 | 0.83 | HPGD (0.42) | FFAR1S1PR1S1PR3S1PR2HPGD | |
| SCHEMBL5762718 | 0.82 | HPGD (0.43) | FFAR1S1PR1S1PR3S1PR2HPGD | |
| SCHEMBL1750295 | 0.82 | PPARA (0.42) | XDH | |
| SCHEMBL2083468 | 0.81 | HPGD (0.46) | FFAR1S1PR1S1PR3S1PR2HPGD | |
| SCHEMBL2085132 | 0.81 | HPGD (0.46) | FFAR1S1PR1S1PR3S1PR2HPGD | |
| SCHEMBL2083239 | 0.81 | HPGD (0.46) | FFAR1S1PR1S1PR3S1PR2HPGD | |
| SCHEMBL67233 | 0.81 | FFAR4 (0.43) | FFAR1HPGDFFAR4 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129416-B2 | Biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2012-03-06 | — | — | US | claimed |
| EP-1814871-B1 | COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS | GALDERMA RES & DEV (FR) | 2011-03-02 | — | — | EP | claimed |
| US-20080027077-A1 | Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2008-01-31 | — | — | US | claimed |
| EP-1814871-A2 | COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2007-08-08 | — | — | EP | claimed |
| WO-2006053791-A2 | COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2006-05-26 | — | — | WO | claimed |
| US-20130303549-A1 | NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF | GALDERMA RES & DEV (FR) | 2013-11-14 | — | — | US | disclosed |
| US-8513297-B2 | Biaromatic compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2013-08-20 | — | — | US | disclosed |
| US-20120121527-A1 | NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2012-05-17 | — | — | US | disclosed |
| US-8129416-B2 | Biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2012-03-06 | — | — | US | disclosed |
| EP-1814871-B1 | COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS | GALDERMA RES & DEV (FR) | 2011-03-02 | — | — | EP | disclosed |
| US-20080027077-A1 | Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2008-01-31 | — | — | US | disclosed |
| EP-1814871-A2 | COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006053791-A2 | COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2006-05-26 | — | — | 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 (3 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-20080027077-A1 | Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof | PPARG, PPARD, PPARA | ADRB2 228/4885FFAR1 7/4885S1PR1 1047/4885 |
| US-20130303549-A1 | NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF | PPARG, PPARD, PPARA | ADRB2 131/4885FFAR1 4/4885S1PR1 608/4885 |
| US-20120121527-A1 | NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF | PPARG, PPARD, PPARA | ADRB2 131/4885FFAR1 4/4885S1PR1 608/4885 |
“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.