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 | 0.38 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.38 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL10899394 | 0.98 | NPC1 (0.41) | OPRD1NPC1RAB9ACYP1A2MAPK1 | |
| Urea SCHEMBL1286778 | 0.85 | L3MBTL1 (0.47) | OPRD1NPC1RAB9ACYP1A2MAPK1 | |
| SCHEMBL1081392 | 0.84 | HRH3 (0.39) | OPRD1SMN1; SMN2ALDH1A1CHRNB2CHRNB4 | |
| SCHEMBL486492 | 0.84 | — | — | |
| SCHEMBL87801 | 0.84 | — | — | |
| Fumaric Acid SCHEMBL8719216 | 0.83 | BLM (0.41) | OPRD1NPC1RAB9ACYP1A2MAPK1 | |
| Maleic Acid SCHEMBL8719213 | 0.83 | BLM (0.41) | OPRD1NPC1RAB9ACYP1A2MAPK1 | |
| SCHEMBL2678913 | 0.82 | CARM1 (0.36) | OPRD1CYP1A2ALDH1A1CHRNB2CHRNB4 | |
| Bromide SCHEMBL10332289 | 0.82 | HRH3 (0.38) | OPRD1ALDH1A1CHRNB2CHRNB4CHRNA3 | |
| Iodide SCHEMBL28911088 | 0.82 | SMN1; SMN2 (0.38) | OPRD1SMN1; SMN2ALDH1A1CHRNB2CHRNB4 |
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-4600778-A | Process for the preparation of 1,4-dihydropyridinedicarboxylic esters | BAYER AKTIENGESELLSCHAFT (DE) | 1986-07-15 | — | — | US | disclosed |