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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.40 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.37 |
| ▸ | P2RY14 | Q15391 | 4/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2927994 | 0.95 | HTR2C (0.46) | P2RY14HTR2CCHRNB2CHRNA4GAA | |
| SCHEMBL27297133 | 0.85 | HTR2C (0.47) | P2RY14HTR2CCHRNB2CHRNA4CHRNB4 | |
| SCHEMBL641276 | 0.81 | HTR2C (0.43) | P2RY14HTR2CCHRNB2CHRNA4GAA | |
| SCHEMBL30151600 | 0.79 | AKR1C3 (0.49) | CHRNB4CHRNA3SIGMAR1KDM4ECYP2D6 | |
| SCHEMBL26302857 | 0.79 | AKR1C3 (0.49) | CHRNB4CHRNA3SIGMAR1KDM4ECYP2D6 | |
| Acetic Acid SCHEMBL9894871 | 0.79 | PSEN1 (0.44) | P2RY14HTR2CCHRNB2CHRNA4CHRNB4 | |
| SCHEMBL12719957 | 0.79 | P2RY14 (0.43) | P2RY14HTR2CCHRNB2CHRNA4CHRNB4 | |
| SCHEMBL642571 | 0.78 | ATM (0.43) | P2RY14HTR2CCHRNB2CHRNA4GAA | |
| SCHEMBL1580612 | 0.78 | P2RY14 (0.42) | P2RY14HTR2CCHRNB2CHRNA4CHRNB4 | |
| Trifluoroacetic Acid SCHEMBL10006673 | 0.76 | P2RY14 (0.54) | P2RY14HTR2CCHRNB2CHRNA4CHRNB4 |
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-20120214788-A1 | HETEROARYL-SUBSTITUTED PIPERIDINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-08-23 | — | — | US | disclosed |
| US-8119663-B2 | Heteroaryl-substituted piperidines | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-02-21 | — | — | US | disclosed |
| US-20090306139-A1 | HETEROARYL-SUBSTITUTED PIPERIDINES | BAYER HEALTHCARE AG (DE) | 2009-12-10 | — | — | 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 (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-20090306139-A1 | HETEROARYL-SUBSTITUTED PIPERIDINES | VHL, PIGO, PLIN3 | CHRNB4 4751/4885CHRNA3 4075/4885ADRA2B 140/4885 |
| US-20120214788-A1 | HETEROARYL-SUBSTITUTED PIPERIDINES | VHL, PIGO, PLIN3 | CHRNB4 4751/4885CHRNA3 4075/4885ADRA2B 140/4885 |
“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.