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 | |
|---|---|---|---|---|
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.47 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.44 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SLC25A20 | O43772 | 2/20 | 0.41 |
| ▸ | CPT2 | P23786 | 1/20 | 0.41 |
| ▸ | CPT1A | P50416 | 1/20 | 0.41 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3862567 | 0.89 | PSMD14 (0.52) | SLC22A16NFKB1GPR84PSMD14PLA2G1B | |
| Iodide SCHEMBL16968726 | 0.87 | PSMD14 (0.55) | SLC22A16NFKB1GPR84PSMD14PLA2G1B | |
| Hydrochloric Acid SCHEMBL9626986 | 0.87 | PSMD14 (0.55) | SLC22A16NFKB1GPR84PSMD14PLA2G1B | |
| Acetic Acid SCHEMBL14937958 | 0.82 | PSMD14 (0.61) | NFKB1GPR84PSMD14PLA2G1BMMP2 | |
| SCHEMBL5447356 | 0.80 | PSMD14 (0.63) | NFKB1GPR84PSMD14PLA2G1BMMP2 | |
| SCHEMBL5440695 | 0.80 | PSMD14 (0.63) | NFKB1GPR84PSMD14PLA2G1BMMP2 | |
| Hydrochloric Acid SCHEMBL9626985 | 0.78 | PSMD14 (0.67) | NFKB1GPR84PSMD14PLA2G1BMMP2 | |
| Hydrochloric Acid SCHEMBL31472851 | 0.78 | PSMD14 (0.67) | NFKB1GPR84PSMD14PLA2G1BMMP2 | |
| Hydrochloric Acid SCHEMBL31426886 | 0.78 | PSMD14 (0.67) | NFKB1GPR84PSMD14PLA2G1BMMP2 | |
| Hydrochloric Acid SCHEMBL28423912 | 0.78 | PSMD14 (0.67) | NFKB1GPR84PSMD14PLA2G1BMMP2 |
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-4101465-A | TO POLYISOCYANURATES, ALKALI METAL GLYCINE SALTS, QUATERNARY AMMONM CARBOXYLATES, ALKALI METAL SALTS OF AMIDES AND ACIDS | THE UPJOHN COMPANY (US) | 1978-07-18 | — | — | US | disclosed |