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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.49 |
| ▸ | MDM4 | O15151 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | FABP7 | O15540 | 1/20 | 0.44 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7913189 | 0.89 | EPHX2 (0.59) | EPHX2KMT2AMDM2MDM4TP53 | |
| SCHEMBL14647849 | 0.88 | EPHX2 (0.64) | EPHX2KMT2ACASP3FABP7FABP5 | |
| SCHEMBL8366872 | 0.88 | EPHX2 (0.75) | EPHX2KMT2ACASP3FABP7FABP5 | |
| SCHEMBL7921985 | 0.86 | EPHX2 (0.60) | EPHX2KMT2AMDM2 | |
| SCHEMBL30833078 | 0.86 | EPHX2 (0.62) | EPHX2KMT2ACASP3FABP7FABP5 | |
| SCHEMBL8366871 | 0.85 | EPHX2 (0.64) | EPHX2KMT2AMDM2CASP3 | |
| SCHEMBL694267 | 0.85 | EPHX2 (0.64) | EPHX2KMT2AMDM2CASP3FABP7 | |
| Acetic Acid SCHEMBL1157575 | 0.85 | CHRM3 (0.58) | EPHX2KMT2A | |
| SCHEMBL29561956 | 0.84 | EPHX2 (0.63) | EPHX2KMT2AMDM4TP53CASP3 | |
| SCHEMBL118052 | 0.84 | EPHX2 (0.63) | EPHX2KMT2AMDM4TP53CASP3 |
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-20110039714-A1 | Probes, Systems, and Methods for Drug Discovery | VTVX HOLDINGS I LLC | 2011-02-17 | — | — | US | disclosed |
| US-20030125315-A1 | Probes, systems, and methods for drug discovery | TRANSTECH PHARMA, INC. | 2003-07-03 | — | — | US | 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-20030125315-A1 | Probes, systems, and methods for drug discovery | ABCG2, EZR, PAICS | EPHX2 158/4885KMT2A 4273/4885MDM2 269/4885 |
“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.