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 | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.53 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.40 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29493488 | 0.95 | BCAT2 (0.53) | BCAT2IRAK4KEAP1NFE2L2KDM4E | |
| SCHEMBL4600188 | 0.82 | MYC (0.50) | KDM4EALDH1A1MAPTTSHRBCL2 | |
| SCHEMBL9364567 | 0.82 | KEAP1 (0.58) | BCAT2IRAK4KEAP1NFE2L2KDM4E | |
| SCHEMBL105262 | 0.82 | IRAK4 (0.55) | BCAT2IRAK4KEAP1NFE2L2KDM4E | |
| SCHEMBL31632660 | 0.82 | IRAK4 (0.55) | BCAT2IRAK4KEAP1NFE2L2KDM4E | |
| SCHEMBL27704990 | 0.81 | KEAP1 (0.57) | BCAT2IRAK4KEAP1NFE2L2KDM4E | |
| Hydrochloric Acid SCHEMBL7849679 | 0.80 | IRAK4 (0.53) | BCAT2IRAK4KEAP1NFE2L2KDM4E | |
| Hydrochloric Acid SCHEMBL28294057 | 0.80 | IRAK4 (0.53) | BCAT2IRAK4KEAP1NFE2L2KDM4E | |
| SCHEMBL28202998 | 0.80 | ANPEP (0.43) | BCAT2KDM4ECA12CA1CA2 | |
| SCHEMBL2787587 | 0.78 | CA12 (0.37) | BCAT2IRAK4KEAP1NFE2L2KDM4E |
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-5693657-A | USEFUL FOR TREATING HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1997-12-02 | — | — | US | disclosed |