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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 4/20 | 0.40 |
| ▸ | FDPS | P14324 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 4/20 | 0.36 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.34 |
| ▸ | TLR2 | O60603 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6937518 | 0.95 | SMPD1 (0.43) | SMPD1FDPSCES2CES1 | |
| SCHEMBL7105214 | 0.95 | SMPD1 (0.43) | SMPD1FDPSCES2CES1 | |
| Cysteamine SCHEMBL5834143 | 0.86 | SMPD1 (0.40) | SMPD1FDPSCES2CES1 | |
| Dodecanoate SCHEMBL5520168 | 0.83 | GPR84 (0.52) | GPR84PPARGPPARDPPARAALDH1A1 | |
| SCHEMBL460223 | 0.80 | FDPS (0.35) | FDPS | |
| Acetic Acid SCHEMBL13835081 | 0.75 | CES2 (0.35) | CES2CES1GPR84PPARGPPARD | |
| Acetic Acid SCHEMBL1034253 | 0.75 | CES2 (0.35) | CES2CES1GPR84PPARGPPARD | |
| Acetic Acid SCHEMBL2204888 | 0.74 | GPR84 (0.50) | SMPD1FDPSGPR84PPARGPPARD | |
| Acetic Acid SCHEMBL8065006 | 0.74 | GPR84 (0.50) | SMPD1FDPSGPR84PPARGPPARD | |
| Acetic Acid SCHEMBL29060600 | 0.74 | GPR84 (0.50) | SMPD1FDPSGPR84PPARGPPARD |
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-1212618-B1 | EFFECT OF STEROIDS ON NMDA RECEPTORS DEPENDS ON SUBUNIT COMPOSITION | UNIV BOSTON (US) | 2009-03-11 | — | — | EP | disclosed |
| US-20040204490-A1 | Effect of steroids on NMDA receptors depends on subunit composition | TRUSTEES OF BOSTON UNIVERSITY | 2004-10-14 | — | — | US | disclosed |
| US-6623933-B1 | Contacting with neurotransmitter recognition site ligand in the presence and absence of a steroid-based molecule; chimeric isoform; use in treating neurological disorders including ischemic stroke, epilepsy and schizophrenia | TRUSTEES OF BOSTON UNIVERSITY | 2003-09-23 | — | — | US | disclosed |
| EP-0981349-B1 | 5-ALPHA-PREGNAN-3-BETA-OL-20-ONE SULFATE FOR THE TREATMENT OF TUMOURS AND CNS DISEASES | WYETH CORP (US) | 2002-11-06 | — | — | 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-20040204490-A1 | Effect of steroids on NMDA receptors depends on subunit composition | GRIN3B, GRIN1, GRIN3A | SMPD1 2856/4885FDPS 2902/4885CES2 2891/4885 |
“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.