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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 6/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 14/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.47 |
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 SCHEMBL963855 | 1.00 | ADRB3 (0.54) | ADRB3ADRB2CHRM3 | |
| Acetic Acid SCHEMBL965526 | 0.91 | ADRB3 (0.46) | ADRB3ADRB2CHRM3 | |
| SCHEMBL2054474 | 0.86 | ADRB3 (0.48) | ADRB3ADRB2CHRM3 | |
| Acetic Acid SCHEMBL967642 | 0.86 | ADRB2 (0.49) | ADRB3ADRB2 | |
| Acetic Acid SCHEMBL967644 | 0.86 | ADRB2 (0.49) | ADRB3ADRB2 | |
| Acetic Acid SCHEMBL966495 | 0.85 | ADRB3 (0.67) | ADRB3ADRB2CHRM3 | |
| Acetic Acid SCHEMBL966494 | 0.85 | ADRB3 (0.67) | ADRB3ADRB2CHRM3 | |
| Acetic Acid SCHEMBL11898047 | 0.81 | ADRB3 (0.54) | ADRB3ADRB2 | |
| SCHEMBL2056237 | 0.81 | ADRB3 (0.69) | ADRB3ADRB2CHRM3 | |
| SCHEMBL2054463 | 0.81 | ADRB2 (0.51) | ADRB3ADRB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163758-B2 | Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity | PARION SCIENCES, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20110008268-A1 | PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY | PARION SCIENCES, INC. (US) | 2011-01-13 | — | — | 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 (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-20110008268-A1 | PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY | CACNA1C, CACNA1B, CACNA1G | ADRB2 40/4885ADRB3 62/4885CHRM3 274/4885 |
“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.