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 | |
|---|---|---|---|---|
| ▸ | FOS | P01100 | 1/20 | 0.55 |
| ▸ | TTR | P02766 | 1/20 | 0.55 |
| ▸ | JUN | P05412 | 1/20 | 0.55 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.55 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL676400 | 0.93 | FOS (0.62) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL3241738 | 0.89 | LTA4H (0.49) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL3146879 | 0.86 | FOS (0.60) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL3157908 | 0.84 | HTR1A (0.62) | FOSTTRJUNNR3C1HSD17B1 | |
| Ether SCHEMBL3241733 | 0.83 | FOS (0.50) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL21402299 | 0.82 | ALOX15 (0.62) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL3158709 | 0.82 | FOS (0.66) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL1013497 | 0.82 | PTGS1 (0.54) | JUNNR3C1ALDH1A1TSHRNFKB1 | |
| SCHEMBL29291131 | 0.81 | FOS (0.57) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL491190 | 0.77 | LDHA (0.76) | FOSTTRJUNNR3C1HSD17B1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896557-B1 | FLAVOR AND FRAGRANCE COMPOSITION | TAKASAGO PERFUMERY CO LTD (JP) | 2010-05-05 | — | — | EP | claimed |
| US-20090275669-A1 | Flavor and fragrance composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-11-05 | — | — | US | claimed |
| EP-1896557-A1 | FLAVOR AND FRAGRANCE COMPOSITION | Takasago International Corporation (JP) | 2008-03-12 | — | — | EP | claimed |
| WO-2006137556-A1 | FLAVOR AND FRAGRANCE COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2006-12-28 | — | — | WO | claimed |
| EP-1896557-B1 | FLAVOR AND FRAGRANCE COMPOSITION | TAKASAGO PERFUMERY CO LTD (JP) | 2010-05-05 | — | — | EP | disclosed |
| US-20090275669-A1 | Flavor and fragrance composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-11-05 | — | — | US | disclosed |
| EP-1896557-A1 | FLAVOR AND FRAGRANCE COMPOSITION | Takasago International Corporation (JP) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006137556-A1 | FLAVOR AND FRAGRANCE COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2006-12-28 | — | — | 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-20090275669-A1 | Flavor and fragrance composition | TAS2R40, TAS2R1, TAS2R50 | FOS 646/4885TTR 2777/4885JUN 1505/4885 |
“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.