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 | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 8/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 8/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3020189 | 1.00 | CCR5 (0.45) | CCR5CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL3020241 | 0.95 | CCR5 (0.44) | CCR5CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL3020245 | 0.95 | CCR5 (0.44) | CCR5CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL3020185 | 0.87 | CCR5 (0.42) | CCR5CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL3020187 | 0.87 | CCR5 (0.42) | CCR5CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL3005709 | 0.85 | CHRM2 (0.42) | CCR5CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL8074365 | 0.85 | CHRM2 (0.42) | CCR5CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL3005714 | 0.85 | CHRM2 (0.42) | CCR5CHRM4CHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL3016614 | 0.84 | CHRM4 (0.44) | CCR5CHRM4CHRM5CHRM1CHRM3 | |
| Acetic Acid SCHEMBL3016623 | 0.84 | CHRM4 (0.44) | CCR5CHRM4CHRM5CHRM1CHRM3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8426443-B2 | Compounds which have activity at M1 receptor and their uses in medicine | GLAXO GROUP LIMITED (GB) | 2013-04-23 | — | — | US | disclosed |
| US-20120316196-A1 | Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine | GLAXO GROUP LIMITED (GB) | 2012-12-13 | — | — | US | disclosed |
| US-8278328-B2 | Compounds which have activity at M1 receptor and their uses in medicine | GLAXO GROUP LIMITED (GB) | 2012-10-02 | — | — | US | disclosed |
| US-20100204272-A1 | Compounds which have activity at M1 receptor and their uses in medicine | Glaxo Group Limited a corporation | 2010-08-12 | — | — | US | disclosed |
| EP-2194982-A1 | COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE | Glaxo Group Limited (GB) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009037294-A1 | COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE | GLAXO GROUP LIMITED (GB) | 2009-03-26 | — | — | 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-20100204272-A1 | Compounds which have activity at M1 receptor and their uses in medicine | CHRM1, CHRM2, CHRM5 | CCR5 829/4885CHRM4 4/4885CHRM5 3/4885 |
| US-20120316196-A1 | Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine | CHRM1, CHRM2, CHRM5 | CCR5 829/4885CHRM4 4/4885CHRM5 3/4885 |
“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.