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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 16/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
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 SCHEMBL1157085 | 0.85 | EPHX2 (0.60) | EPHX2KMT2A | |
| SCHEMBL1157555 | 0.83 | EPHX2 (0.53) | CHRM3CHRM2CHRM1EPHX2KMT2A | |
| SCHEMBL119223 | 0.82 | EPHX2 (0.60) | CHRM3CHRM2CHRM1EPHX2KMT2A | |
| SCHEMBL9588677 | 0.82 | EPHX2 (0.56) | CHRM3EPHX2KMT2A | |
| SCHEMBL29913938 | 0.82 | EPHX2 (0.60) | CHRM3CHRM2CHRM1EPHX2KMT2A | |
| SCHEMBL29401765 | 0.82 | EPHX2 (0.60) | CHRM3CHRM2CHRM1EPHX2KMT2A | |
| SCHEMBL29067330 | 0.80 | EPHX2 (0.57) | CHRM3CHRM2CHRM1EPHX2KMT2A | |
| SCHEMBL3234085 | 0.80 | KMT2A (0.58) | CHRM3CHRM2CHRM1EPHX2KMT2A | |
| SCHEMBL1157557 | 0.80 | EPHX2 (0.55) | CHRM3CHRM2CHRM1EPHX2KMT2A | |
| SCHEMBL25307975 | 0.80 | EPHX2 (0.54) | CHRM3CHRM2CHRM1EPHX2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20110039714-A1 | Probes, Systems, and Methods for Drug Discovery | VTVX HOLDINGS I LLC | 2011-02-17 | — | — | US | disclosed |
| EP-1383799-A1 | PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY | TransTech Pharma Inc. (US) | 2004-01-28 | — | — | EP | disclosed |
| WO-2003084997-A1 | PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY | TRANSTECH PHARMA, INC. (US) | 2003-10-16 | — | — | WO | 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 | CHRM3 1528/4885CHRM2 3854/4885CHRM1 3983/4885 |
“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.