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 | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.84 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.84 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.91 |
| ▸ | LMNA | P02545 | 2/20 | 0.91 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.91 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.91 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.84 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.84 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.84 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.84 |
| ▸ | TSHR | P16473 | 1/20 | 0.84 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.84 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.84 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.84 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.84 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.84 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.84 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.84 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.84 |
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 SCHEMBL10468143 | 0.96 | SMN1; SMN2 (0.91) | SMN1; SMN2LMNANPSR1PMP22CYP1A2 | |
| Flecainide SCHEMBL9614368 | 0.95 | SMN1; SMN2 (1.00) | SMN1; SMN2LMNANPSR1PMP22CYP1A2 | |
| Flecainide SCHEMBL308966 | 0.95 | SMN1; SMN2 (1.00) | SMN1; SMN2LMNANPSR1PMP22CYP1A2 | |
| Flecainide SCHEMBL121583 | 0.95 | SMN1; SMN2 (1.00) | SMN1; SMN2LMNANPSR1PMP22CYP1A2 | |
| SCHEMBL19822359 | 0.94 | CYP1A2 (0.89) | SMN1; SMN2LMNANPSR1PMP22CYP1A2 | |
| SCHEMBL20921172 | 0.94 | CYP1A2 (0.89) | SMN1; SMN2LMNANPSR1PMP22CYP1A2 | |
| Acetic Acid SCHEMBL10469250 | 0.93 | SMN1; SMN2 (0.88) | SMN1; SMN2LMNANPSR1PMP22CYP1A2 | |
| Flecainide SCHEMBL17799127 | 0.92 | CYP1A2 (1.00) | SMN1; SMN2LMNANPSR1PMP22CYP1A2 | |
| Flecainide SCHEMBL29385957 | 0.92 | CYP1A2 (1.00) | SMN1; SMN2LMNANPSR1PMP22CYP1A2 | |
| Flecainide SCHEMBL14970 | 0.92 | CYP1A2 (1.00) | SMN1; SMN2LMNANPSR1PMP22CYP1A2 |
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-4952574-A | Antiarrhythmic substituted N-(2-piperidylmethyl)benzamides | RIKER LABORATORIES, INC. (US) | 1990-08-28 | — | — | US | disclosed |