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 | |
|---|---|---|---|---|
| ▸ | GNRHR known ✓ | P30968 | 20/20 | 0.69 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.43 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.43 |
| ▸ | FPR1 | P21462 | 1/20 | 0.49 |
| ▸ | GPR183 | P32249 | 1/20 | 0.49 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.49 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | PTAFR | P25105 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5765778 | 0.90 | GNRHR (0.68) | GNRHRFPR1GPR183GPR119CACNA1F | |
| Acetic Acid SCHEMBL5766499 | 0.86 | GNRHR (0.76) | GNRHRFPR1GPR183GPR119CACNA1F | |
| SCHEMBL5766764 | 0.84 | GNRHR (0.76) | GNRHRFPR1GPR183GPR119CACNA1F | |
| SCHEMBL5765297 | 0.83 | GNRHR (0.69) | GNRHRFPR1GPR183GPR119CACNA1F | |
| SCHEMBL5766505 | 0.83 | GNRHR (0.78) | GNRHRFPR1GPR183GPR119CACNA1F | |
| SCHEMBL5765782 | 0.82 | GNRHR (0.49) | GNRHRFPR1GPR183GPR119 | |
| SCHEMBL5765601 | 0.82 | GNRHR (0.77) | GNRHRFPR1GPR183GPR119CACNA1F | |
| SCHEMBL5765165 | 0.82 | GNRHR (0.88) | GNRHRFPR1GPR183GPR119CACNA1F | |
| SCHEMBL5765277 | 0.82 | GNRHR (0.76) | GNRHRFPR1GPR183GPR119CACNA1F | |
| SCHEMBL5765934 | 0.82 | GNRHR (0.76) | GNRHRFPR1GPR183GPR119CACNA1F |
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 |
|---|---|---|---|---|---|---|---|
| EP-1334972-B1 | Non-peptide compounds affecting the action of gonadotropin-releasing hormone (GnRH) | PFIZER (US) | 2006-04-19 | — | — | EP | disclosed |
| US-6833372-B2 | A hormone inhibitors of gonadotropin releasing hormone, an antigonadotropins, new drug compound contains a furanyl 2-carboxylic acid -(2,4-dimethoxy-pyrimidin-5-yl)-amide groups | PFIZER, INC. | 2004-12-21 | — | — | US | disclosed |
| US-20040053951-A1 | Non-peptide GnRH agents, pharmaceutical compositions, and methods for their use | PFIZER INC. | 2004-03-18 | — | — | US | disclosed |
| EP-1334972-A1 | Non-peptide compounds affecting the action of gonadotropin-releasing hormone (GnRH) | PFIZER INC. (US) | 2003-08-13 | — | — | EP | 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-20040053951-A1 | Non-peptide GnRH agents, pharmaceutical compositions, and methods for their use | GNRHR, LHCGR, FSHR | GNRHR 1/4885AGTR1 3428/4885OPRK1 2840/4885 |
“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.