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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 20/20 | 0.61 |
| ▸ | PDE4D | Q08499 | 14/20 | 0.60 |
| ▸ | PDE1A | P54750 | 10/20 | 0.60 |
| ▸ | PDE1B | Q01064 | 10/20 | 0.60 |
| ▸ | PDE1C | Q14123 | 10/20 | 0.60 |
| ▸ | PDE7B | Q9NP56 | 3/20 | 0.56 |
| ▸ | PDE5A | O76074 | 5/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 4/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3960097 | 1.00 | PDE7A (0.61) | PDE7APDE4DPDE1APDE1BPDE1C | |
| SCHEMBL3951868 | 0.97 | PDE7A (0.64) | PDE7APDE4DPDE1APDE1BPDE1C | |
| SCHEMBL3951558 | 0.97 | PDE7A (0.64) | PDE7APDE4DPDE1APDE1BPDE1C | |
| SCHEMBL3949235 | 0.97 | PDE7A (0.64) | PDE7APDE4DPDE1APDE1BPDE1C | |
| SCHEMBL3949230 | 0.97 | PDE7A (0.64) | PDE7APDE4DPDE1APDE1BPDE1C | |
| SCHEMBL13899460 | 0.96 | PDE7A (0.62) | PDE7APDE4DPDE1APDE1BPDE1C | |
| SCHEMBL298595 | 0.96 | PDE7A (0.62) | PDE7APDE4DPDE1APDE1BPDE1C | |
| SCHEMBL3960099 | 0.88 | PDE7A (0.59) | PDE7APDE4DPDE1APDE1BPDE1C | |
| SCHEMBL3950067 | 0.85 | PDE7A (0.58) | PDE7APDE4DPDE1APDE1BPDE1C | |
| SCHEMBL3958085 | 0.85 | PDE7A (0.58) | PDE7APDE4DPDE1APDE1BPDE1C |
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-7507742-B2 | Spirocyclic derivatives | PFIZER INC. (US) | 2009-03-24 | — | — | US | disclosed |
| US-20070129388-A1 | Phosphodiesterases inhibitors specially PDE7; To treat pain, especially neuropathic pain; superior pharmacokinetics; 3-[(8'-Chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy]cyclobutanecarboxylic acid | PFIZER, INC. | 2007-06-07 | — | — | 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-20070129388-A1 | Phosphodiesterases inhibitors specially PDE7; To treat pain, especially neuropathic pain; superior pharmacokinetics; 3-[(8'-Chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy]cyclobutanecarboxylic acid | PDE7A, PDE7B, PDE3A | PDE7A 1/4885PDE4D 26/4885PDE1A 9/4885 |
“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.