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 | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.39 |
| ▸ | USP2 | O75604 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 5/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 Methyl Ester SCHEMBL5719508 | 0.96 | DPP4 (0.41) | DPP4L3MBTL1ALDH1A1USP2CYP1A2 | |
| SCHEMBL5719461 | 0.91 | DPP4 (0.40) | DPP4L3MBTL1ALDH1A1USP2CYP1A2 | |
| Acetic Acid SCHEMBL5718916 | 0.89 | DPP4 (0.47) | DPP4L3MBTL1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL5770482 | 0.86 | DPP4 (0.42) | DPP4L3MBTL1ALDH1A1USP2CYP1A2 | |
| Acetic Acid Methyl Ester SCHEMBL5719126 | 0.84 | DPP4 (0.46) | DPP4L3MBTL1ALDH1A1CYP3A4CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL5719457 | 0.84 | DPP4 (0.43) | DPP4L3MBTL1ALDH1A1USP2CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL5719511 | 0.83 | DPP4 (0.42) | DPP4L3MBTL1ALDH1A1USP2CYP1A2 | |
| SCHEMBL5776035 | 0.83 | DPP4 (0.39) | DPP4L3MBTL1ALDH1A1USP2CYP1A2 | |
| SCHEMBL5789358 | 0.83 | DPP4 (0.60) | DPP4L3MBTL1ALDH1A1USP2TP53 | |
| Trifluoroacetic Acid SCHEMBL5719464 | 0.82 | DPP4 (0.42) | DPP4L3MBTL1ALDH1A1USP2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1338595-B1 | Xanthine derivatives as DPP-IV inhibitors | EISAI CO LTD (JP) | 2006-05-03 | — | — | EP | disclosed |
| EP-1557165-A1 | COMBINATION DRUG | Eisai Co., Ltd. (JP) | 2005-07-27 | — | — | EP | disclosed |
| US-20040082570-A1 | Xanthine derivative and DPPIV inhibitor | EISAI CO., LTD. (JP) | 2004-04-29 | — | — | US | disclosed |
| EP-1338595-A2 | Xanthine derivatives as DPP-IV inhibitors | Eisai Co., Ltd. (JP) | 2003-08-27 | — | — | EP | 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-20040082570-A1 | Xanthine derivative and DPPIV inhibitor | DPP4, DPP9, DPP7 | DPP4 1/4885L3MBTL1 1200/4885ALDH1A1 112/4885 |
“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.