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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR5 known ✓ | P35346 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 12/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 12/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4233179 | 0.97 | CCR8 (0.61) | CCR8KCNH2CHRM2CHRM3CYP2D6 | |
| SCHEMBL4237303 | 0.90 | CCR8 (0.64) | CCR8KCNH2CHRM2CHRM3CYP2D6 | |
| SCHEMBL4241943 | 0.87 | CCR8 (0.66) | CCR8KCNH2CHRM2CHRM3CYP2D6 | |
| SCHEMBL4233164 | 0.86 | CCR8 (0.64) | CCR8KCNH2CHRM2CHRM3CYP2D6 | |
| SCHEMBL13805605 | 0.85 | CCR8 (0.61) | CCR8KCNH2CHRM2CHRM3CYP2D6 | |
| SCHEMBL4237183 | 0.84 | CCR8 (0.48) | CCR8KCNH2CYP2D6TSHRSSTR5 | |
| SCHEMBL4234755 | 0.84 | CCR8 (0.62) | CCR8KCNH2CHRM2CHRM3CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL4230125 | 0.84 | CCR8 (0.60) | CCR8KCNH2CHRM2CHRM3CYP2D6 | |
| SCHEMBL4241407 | 0.84 | CCR8 (0.56) | CCR8KCNH2CHRM2CHRM3CYP2D6 | |
| SCHEMBL4234438 | 0.83 | CCR8 (0.76) | CCR8KCNH2CHRM2CHRM3CYP2D6 |
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-20090156575-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | US | disclosed |
| EP-1926730-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | AstraZeneca AB (SE) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007030061-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | ASTRAZENECA AB (SE) | 2007-03-15 | — | — | 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-20090156575-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | CCR8, CCR1, CCR10 | SSTR5 4243/4885CCR8 1/4885KCNH2 3143/4885 |
“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.