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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.45 |
| ▸ | FFAR2 | O15552 | 3/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | CTSA | P10619 | 3/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8027521 | 0.98 | PDE4D (0.52) | PDE4DPDE4BFFAR2GRM5CTSA | |
| SCHEMBL3466397 | 0.93 | PDE4D (0.50) | PDE4DPDE4BFFAR2GRM5HCRTR1 | |
| SCHEMBL3466400 | 0.93 | PDE4D (0.50) | PDE4DPDE4BFFAR2GRM5HCRTR1 | |
| SCHEMBL3466979 | 0.90 | PDE4D (0.49) | PDE4DPDE4BGRM5CTSAHCRTR1 | |
| SCHEMBL3466221 | 0.83 | GRM5 (0.37) | PDE4DPDE4BGRM5CTSAHCRTR1 | |
| SCHEMBL3466246 | 0.83 | GRM5 (0.37) | PDE4DPDE4BGRM5CTSAHCRTR1 | |
| SCHEMBL3792867 | 0.83 | GRM5 (0.37) | PDE4DPDE4BGRM5CTSAHCRTR1 | |
| SCHEMBL8069437 | 0.80 | PDCD1 (0.38) | PDE4DPDE4BHCRTR1HCRTR2CD274 | |
| SCHEMBL8081886 | 0.80 | PDCD1 (0.38) | PDE4DPDE4BHCRTR1HCRTR2CD274 | |
| SCHEMBL3377163 | 0.80 | SYK (0.36) | PDE4DPDE4BHCRTR1HCRTR2CD274 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2628727-A2 | Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders | Decode Genetics EHF (IS) | 2013-08-21 | — | — | EP | disclosed |
| US-20120213758-A1 | BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS | DeCODE Genetics enf (IS) | 2012-08-23 | — | — | US | disclosed |
| EP-2222639-A1 | BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS | Decode Genetics EHF (IS) | 2010-09-01 | — | — | EP | disclosed |
| US-20090136473-A1 | BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS | DECODE GENETICS EHF (IS) | 2009-05-28 | — | — | US | disclosed |
| WO-2009067621-A1 | BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS | DECODE GENETICS EHF (IS) | 2009-05-28 | — | — | 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 (2 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-20090136473-A1 | BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS | PDE4A, PDE4B, PDE3B | PDE4D 7/4885PDE4B 2/4885FFAR2 1586/4885 |
| US-20120213758-A1 | BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS | PDE4A, PDE4B, PDE3B | PDE4D 7/4885PDE4B 2/4885FFAR2 1586/4885 |
“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.