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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.43 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.52 |
| ▸ | FNTB | P49356 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PTAFR | P25105 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 5/20 | 0.43 |
| ▸ | SETD7 | Q8WTS6 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL7676763 | 0.97 | FNTA (0.55) | FNTAFNTBCYP3A4HTTPTAFR | |
| Hydrochloric Acid SCHEMBL9844228 | 0.96 | FNTA (0.54) | FNTAFNTBCYP3A4HTTPTAFR | |
| SCHEMBL9844279 | 0.94 | FNTA (0.54) | FNTAFNTBCYP3A4HTTPTAFR | |
| SCHEMBL9844244 | 0.93 | FNTA (0.53) | FNTAFNTBCYP3A4HTTPTAFR | |
| SCHEMBL9844251 | 0.93 | FNTA (0.53) | FNTAFNTBCYP3A4HTTPTAFR | |
| SCHEMBL9844384 | 0.93 | FNTA (0.53) | FNTAFNTBCYP3A4HTTPTAFR | |
| Hydrochloric Acid SCHEMBL9844374 | 0.93 | FNTA (0.53) | FNTAFNTBCYP3A4HTTPTAFR | |
| Hydrochloric Acid SCHEMBL9844527 | 0.92 | FNTA (0.52) | FNTAFNTBCYP3A4HTTPTAFR | |
| Hydrochloric Acid SCHEMBL9844268 | 0.92 | FNTA (0.52) | FNTAFNTBCYP3A4HTTPTAFR | |
| Hydrochloric Acid SCHEMBL9844220 | 0.92 | FNTA (0.52) | FNTAFNTBCYP3A4HTTPTAFR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020151539-A1 | Novel heterocyclic compounds | JORGENSEN TINE KROGH (DK) | 2002-10-17 | — | — | US | disclosed |
| US-6391890-B1 | ANALGESICS, ANTIINFLAMMATORY AGENTS, NON-INSULIN DEPENDENT DIABETES | NOVO NORDISK A/S (DK) | 2002-05-21 | — | — | US | disclosed |
| US-6054458-A | Heterocyclic compounds | NOVONORDISKALS (DK) | 2000-04-25 | — | — | US | disclosed |
| EP-0991633-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999000376-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1999-01-07 | — | — | 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 (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-20020151539-A1 | Novel heterocyclic compounds | IAPP, GPR119, NPY1R | ADRA2A 468/4885ADRA2B 485/4885FNTA 3191/4885 |
“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.