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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.44 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.44 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.44 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27798006 | 0.96 | P2RY14 (0.45) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL9926849 | 0.84 | KCNH2 (0.42) | P2RY14HTR2CKCNH2CHRNB2CHRNA4 | |
| SCHEMBL29617604 | 0.84 | KCNH2 (0.42) | P2RY14HTR2CKCNH2CHRNB2CHRNA4 | |
| SCHEMBL27798034 | 0.81 | HTR2C (0.49) | HTR2CCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL27819227 | 0.80 | HTR2C (0.42) | HTR2C | |
| SCHEMBL28785723 | 0.80 | POLQ (0.39) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL27819149 | 0.79 | ALDH1A1 (0.43) | DGAT1 | |
| Acetic Acid SCHEMBL640996 | 0.79 | P2RY14 (0.43) | P2RY14HTR2CKCNH2CHRNB2CHRNA4 | |
| SCHEMBL2862047 | 0.76 | S1PR4 (0.53) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL2862048 | 0.76 | S1PR4 (0.53) | PSEN1PSEN2APH1BNCSTNAPH1A |
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-20120149694-A1 | Substituted piperidines | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-14 | — | — | 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-20120149694-A1 | Substituted piperidines | VHL, PIR, PIGO | CHRNB4 4794/4885CHRNA3 4450/4885PSEN1 729/4885 |
“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.