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 | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 3/20 | 0.34 |
| ▸ | NOS2 known ✓ | P35228 | 3/20 | 0.34 |
| ▸ | NOS3 known ✓ | P29474 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2472068 | 0.93 | PDPK1 (0.37) | SMN1; SMN2GSTP1HPGDRAB9ANPC1 | |
| Acetic Acid SCHEMBL2499116 | 0.84 | KDM4E (0.36) | SMN1; SMN2KDM4EGSTP1HPGDRAB9A | |
| SCHEMBL3537702 | 0.79 | TSHR (0.38) | SMN1; SMN2KDM4EGSTP1HPGDRAB9A | |
| SCHEMBL29225754 | 0.78 | TSHR (0.36) | SMN1; SMN2GSTP1HPGDRAB9ANPC1 | |
| Acetic Acid SCHEMBL5482093 | 0.75 | KDM4E (0.38) | SMN1; SMN2KDM4EALOX15ALOX12ALDH1A1 | |
| SCHEMBL1811733 | 0.75 | RAB9A (0.49) | HPGDRAB9AALDH1A1GAACDC25B | |
| SCHEMBL15059366 | 0.75 | S100A4 (0.46) | SMN1; SMN2KDM4EHPGDRAB9ANPC1 | |
| SCHEMBL4014702 | 0.73 | ALOX15 (0.51) | SMN1; SMN2KDM4EHPGDRAB9ANPC1 | |
| SCHEMBL506797 | 0.73 | CA12 (0.36) | SMN1; SMN2KDM4EALDH1A1GAAPDPK1 | |
| SCHEMBL2472619 | 0.72 | MAPT (0.57) | SMN1; SMN2KDM4EHPGDRAB9ACYP1A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1656139-B1 | ARYL DICARBOXAMIDES | MERCK SERONO SA (CH) | 2011-10-05 | — | — | EP | disclosed |
| EP-1654247-B1 | ALKYNYL ARYL CARBOXAMIDES | MERCK SERONO SA (CH) | 2010-01-20 | — | — | EP | disclosed |
| US-7589232-B2 | Alkynyl aryl carboxamides | LABORATORIES SERONO S.A. (CH) | 2009-09-15 | — | — | US | disclosed |
| US-7365225-B2 | Aryl dicarboxamides | LABORATOIRES SERONO SA (CH) | 2008-04-29 | — | — | US | disclosed |
| US-20070105913-A1 | Alkynyl aryl carboxamides | APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) | 2007-05-10 | — | — | US | disclosed |
| US-20060189583-A1 | Aryl dicarboxamides | MERCK SERONO SA (CH) | 2006-08-24 | — | — | US | disclosed |
| EP-1654247-A1 | ALKYNYL ARYL CARBOXAMIDES | Applied Research Systems ARS Holding N.V. (AN) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005012280-A1 | ALKYNYL ARYL CARBOXAMIDES | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2005-02-10 | — | — | 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 (2 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-20060189583-A1 | Aryl dicarboxamides | GPR119, PTPRS, ECHS1 | NOS1 3616/4885NOS2 3686/4885NOS3 3305/4885 |
| US-20070105913-A1 | Alkynyl aryl carboxamides | ECHS1, IRS1, HCCS | NOS1 2231/4885NOS2 2235/4885NOS3 1846/4885 |
“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.