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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 9/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 2/20 | 0.45 |
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 SCHEMBL19329934 | 1.00 | ADRB2 (0.50) | ADRB2ADRB3SMN1; SMN2ALDH1A1ASAH1 | |
| SCHEMBL19329906 | 0.93 | ALDH1A1 (0.54) | ADRB2ADRB3SMN1; SMN2ALDH1A1ASAH1 | |
| SCHEMBL19329761 | 0.93 | ALDH1A1 (0.54) | ADRB2ADRB3SMN1; SMN2ALDH1A1ASAH1 | |
| Bamethan SCHEMBL19329744 | 0.87 | ALDH1A1 (0.58) | ADRB2SMN1; SMN2ALDH1A1ADRB1HTR1A | |
| Bamethan SCHEMBL120958 | 0.87 | ALDH1A1 (0.58) | ADRB2SMN1; SMN2ALDH1A1ADRB1HTR1A | |
| Bamethan SCHEMBL23466818 | 0.86 | ALDH1A1 (0.49) | ADRB2ADRB3SMN1; SMN2ALDH1A1ASAH1 | |
| Bamethan SCHEMBL1568806 | 0.86 | ALDH1A1 (0.50) | ADRB2ADRB3SMN1; SMN2ALDH1A1ADRB1 | |
| Bamethan SCHEMBL120957 | 0.86 | ALDH1A1 (0.50) | ADRB2ADRB3SMN1; SMN2ALDH1A1ADRB1 | |
| Bamethan SCHEMBL6456972 | 0.85 | ALDH1A1 (0.56) | ADRB2SMN1; SMN2ALDH1A1ADRB1HTR1A | |
| Bamethan SCHEMBL21693928 | 0.84 | ALDH1A1 (0.49) | ADRB2ADRB3SMN1; SMN2ALDH1A1ADRB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190119196-A1 | COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA | ATROGI AB (SE) | 2019-04-25 | — | — | 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-20190119196-A1 | COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA | SLC5A2, SLC5A1, SLC2A2 | ADRB2 229/4885ADRB3 642/4885SMN1; SMN2 1542/4885 |
“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.