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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 6/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 9/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 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 SCHEMBL2808744 | 1.00 | EPHX1 (0.45) | EPHX1EPHX2KDM1AALDH1A1KDM5A | |
| SCHEMBL2807431 | 0.94 | EPHX1 (0.49) | EPHX1EPHX2KDM1AALDH1A1KDM5A | |
| SCHEMBL2807429 | 0.94 | EPHX1 (0.49) | EPHX1EPHX2KDM1AALDH1A1KDM5A | |
| SCHEMBL12136861 | 0.86 | EPHX2 (0.46) | EPHX1EPHX2ALDH1A1KDM5ACA1 | |
| SCHEMBL4634407 | 0.84 | EPHX1 (0.49) | EPHX1EPHX2KDM1AALDH1A1KDM5A | |
| SCHEMBL29134280 | 0.84 | ALDH1A1 (0.41) | EPHX1EPHX2KDM1AALDH1A1KDM5A | |
| SCHEMBL4503729 | 0.84 | ALDH1A1 (0.41) | EPHX1EPHX2KDM1AALDH1A1KDM5A | |
| SCHEMBL29012284 | 0.80 | HSD11B1 (0.42) | EPHX1ALDH1A1KDM5ACA1CA2 | |
| SCHEMBL13853852 | 0.80 | ALDH1A1 (0.42) | EPHX1EPHX2ALDH1A1KDM5ACA1 | |
| SCHEMBL13638962 | 0.79 | EPHX1 (0.47) | EPHX1EPHX2KDM1AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100240611-A1 | METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-09-23 | — | — | US | disclosed |
| WO-2010107809-A2 | METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-09-23 | — | — | 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-20100240611-A1 | METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS | DPP4, DPP3, DPP7 | EPHX1 1137/4885EPHX2 1805/4885KDM1A 1476/4885 |
“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.