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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 19/20 | 0.70 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.61 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 16/20 | 0.70 |
| ▸ | ADRB3 | P13945 | 16/20 | 0.70 |
| ▸ | MLNR | O43193 | 1/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.61 |
| ▸ | DRD1 | P21728 | 1/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.61 |
| ▸ | HTR2A | P28223 | 1/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.61 |
| ▸ | MC3R | P41968 | 1/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.61 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.61 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3982300 | 0.94 | ADRB2 (0.67) | ADRB2ADRB1ADRB3MLNRNR1I2 | |
| SCHEMBL3978861 | 0.87 | ADRB2 (0.56) | ADRB2ADRB1ADRB3MLNRNR1I2 | |
| Vilanterol SCHEMBL29448201 | 0.83 | ADRB2 (1.00) | ADRB2ADRB1ADRB3MLNRNR1I2 | |
| Vilanterol SCHEMBL925229 | 0.83 | ADRB2 (1.00) | ADRB2ADRB1ADRB3MLNRNR1I2 | |
| Acetic Acid SCHEMBL925230 | 0.83 | ADRB2 (1.00) | ADRB2ADRB1ADRB3MLNRNR1I2 | |
| SCHEMBL21587437 | 0.81 | ADRB2 (0.69) | ADRB2ADRB1ADRB3MLNRNR1I2 | |
| SCHEMBL9320952 | 0.80 | SLC2A1 (0.50) | ADRB2ADRB1ADRB3MLNRNR1I2 | |
| SCHEMBL9764419 | 0.80 | SLC2A1 (0.57) | ADRB2ADRB1ADRB3MLNRNR1I2 | |
| SCHEMBL9764490 | 0.80 | ADRB2 (0.58) | ADRB2ADRB1ADRB3MLNRNR1I2 | |
| SCHEMBL9764465 | 0.80 | ADRB2 (0.58) | ADRB2ADRB1ADRB3MLNRNR1I2 |
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-7538127-B2 | Medicinal compounds | GLAXO GROUP LIMITED (GB) | 2009-05-26 | — | — | US | disclosed |
| US-20060148771-A1 | Medicinal compounds | GLAXO GROUP LIMITED (GB) | 2006-07-06 | — | — | 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-20060148771-A1 | Medicinal compounds | AVPR1B, AVPR2, CYP11B1 | ADRB2 98/4885SCN5A 2080/4885GHSR 400/4885 |
“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.