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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 16/20 | 0.72 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | JAK3 | P52333 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4335271 | 0.99 | PDE4B (0.73) | PDE4BJAK2JAK3ADORA1 | |
| SCHEMBL14115743 | 0.92 | PDE4B (0.75) | PDE4BJAK2JAK3ADORA1 | |
| SCHEMBL3283266 | 0.90 | PDE4B (0.66) | PDE4BADORA1 | |
| SCHEMBL583313 | 0.89 | PDE4B (0.70) | PDE4BADORA1 | |
| SCHEMBL2771946 | 0.87 | PDE4B (0.80) | PDE4BADORA1 | |
| SCHEMBL5962838 | 0.87 | PDE4B (0.69) | PDE4BADORA1 | |
| SCHEMBL583135 | 0.87 | PDE4B (0.77) | PDE4B | |
| SCHEMBL14034599 | 0.87 | PDE4B (0.62) | PDE4BADORA1 | |
| SCHEMBL4935529 | 0.87 | PDE4B (0.62) | PDE4BADORA1 | |
| SCHEMBL4934425 | 0.87 | PDE4B (0.62) | PDE4BADORA1 |
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-20060089375-A1 | Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors | GLAXO GROUP LIMITED (GB) | 2006-04-27 | — | — | 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-20060089375-A1 | Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors | PDE5A, PDE3B, PDE4A | PDE4B 4/4885JAK2 1205/4885JAK3 1203/4885 |
“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.