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 | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.75 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | BACE1 | P56817 | 2/20 | 0.54 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 SCHEMBL28208961 | 0.90 | TAAR1 (0.67) | TAAR1HRH3SMN1; SMN2KDM4ETSHR | |
| SCHEMBL28420569 | 0.88 | TAAR1 (0.75) | TAAR1HRH3SMN1; SMN2KDM4ETSHR | |
| Benzylamine SCHEMBL1256239 | 0.87 | LOXL2 (0.70) | TAAR1SMN1; SMN2KDM4ETSHRLMNA | |
| Benzylamine SCHEMBL10635405 | 0.87 | LOXL2 (0.70) | TAAR1SMN1; SMN2KDM4ETSHRLMNA | |
| SCHEMBL131842 | 0.87 | TAAR1 (1.00) | TAAR1HRH3TSHRABCC4LMNA | |
| SCHEMBL22202237 | 0.87 | TAAR1 (1.00) | TAAR1HRH3TSHRABCC4LMNA | |
| SCHEMBL28208288 | 0.87 | TAAR1 (1.00) | TAAR1HRH3TSHRABCC4LMNA | |
| SCHEMBL22291708 | 0.87 | TAAR1 (1.00) | TAAR1HRH3TSHRABCC4LMNA | |
| Acetic Acid SCHEMBL28208283 | 0.85 | CFD (0.57) | TAAR1TSHRLOXL2HDAC1CYP1A2 | |
| Benzylamine SCHEMBL18138713 | 0.85 | LOXL2 (0.67) | TAAR1SMN1; SMN2KDM4ETSHRLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080275078-A1 | Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors | GLAXO GROUP LIMITED (GB) | 2008-11-06 | — | — | US | disclosed |
| EP-1740590-A1 | PYRAZOLO [3,4- b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005090354-A1 | PYRAZOLO[3,4-b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2005-09-29 | — | — | 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-20080275078-A1 | Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors | PDE4B, PDE3B, PDE4A | TAAR1 1062/4885HRH3 207/4885SMN1; SMN2 3400/4885 |
“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.