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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | PAM | P19021 | 2/20 | 0.42 |
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 SCHEMBL988009 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL6760313 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL5961214 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL988260 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL989387 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL15993372 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL1149338 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL5722467 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL1816394 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL991294 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7417169-B2 | Amino alcohol derivatives, medicinal composition containing the same, and use of these | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2008-08-26 | — | — | US | disclosed |
| US-7262185-B2 | Benzazepine derivative, process for producing the same, and use | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2007-08-28 | — | — | US | disclosed |
| US-7211241-B2 | Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes | SCHERING AKTIENGESELLSCHAFT (DE) | 2007-05-01 | — | — | US | disclosed |
| US-20070078184-A1 | Amino alcohol derivatives, medicinal composition containing the same, and use of these | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2007-04-05 | — | — | US | disclosed |
| EP-1679304-A1 | AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE | Kissei Pharmaceutical Co., Ltd. (JP) | 2006-07-12 | — | — | EP | disclosed |
| US-6861043-B2 | Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes | SCHERING AG (DE) | 2005-03-01 | — | — | US | disclosed |
| US-20040235822-A1 | Benzazepine derivative, process for producing the same, and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-11-25 | — | — | US | disclosed |
| EP-1422228-A1 | BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE | Takeda Chemical Industries, Ltd. (JP) | 2004-05-26 | — | — | EP | disclosed |
| US-20040091426-A1 | Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2004-05-13 | — | — | US | disclosed |
| US-20020187101-A1 | Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes | SCHERING AG (DE) | 2002-12-12 | — | — | US | disclosed |
| US-6426059-B1 | NUCLEAR MAGNETIC RESONANCE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2002-07-30 | — | — | US | disclosed |
| US-6177060-B1 | NMR OR X-RAY LYMPHOGRAPHY IMAGES | SCHERING AKTIENGESEUSCHAFT (DE) | 2001-01-23 | — | — | US | disclosed |
| US-6166200-A | Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | disclosed |
| US-6063361-A | ADMINISTERING TO A PATIENT AT LEAST ONE CASCADE POLYMER COMPLEX AND SUBJECTING THE PATIENT TO A RADIOLOGY DIAGNOSIS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-05-16 | — | — | US | disclosed |
| US-5820849-A | DIAGNOSIS WITH NUCLEAR MAGNETIC RESONANCE | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-10-13 | — | — | 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 (4 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-20040091426-A1 | Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes | ZYX, CCNY, MOK | CYP1A2 3235/4885CYP4F2 2571/4885CYP4A11 1468/4885 |
| US-20020187101-A1 | Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes | TFPI, LYN, SYK | CYP1A2 3599/4885CYP4F2 1439/4885CYP4A11 1783/4885 |
| US-20070078184-A1 | Amino alcohol derivatives, medicinal composition containing the same, and use of these | ADRB2, ADRA2A, ADRA1A | CYP1A2 23/4885CYP4F2 177/4885CYP4A11 60/4885 |
| US-20040235822-A1 | Benzazepine derivative, process for producing the same, and use | CYP1B1, CYP1A1, CYP2E1 | CYP1A2 6/4885CYP4F2 357/4885CYP4A11 100/4885 |
“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.