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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4410159 | 0.97 | BCAT2 (0.49) | BCAT2KEAP1NFE2L2IRAK4PARP1 | |
| SCHEMBL4560229 | 0.83 | BCAT2 (0.45) | BCAT2KEAP1NFE2L2IRAK4PARP1 | |
| SCHEMBL530130 | 0.82 | TSHR (0.45) | BCAT2KEAP1NFE2L2IRAK4PARP1 | |
| SCHEMBL4301698 | 0.80 | BCAT2 (0.41) | BCAT2KEAP1NFE2L2IRAK4PARP1 | |
| SCHEMBL105262 | 0.79 | IRAK4 (0.55) | BCAT2KEAP1NFE2L2IRAK4LMNA | |
| SCHEMBL27214460 | 0.79 | BCAT2 (0.63) | BCAT2KEAP1NFE2L2PARP1IKBKB | |
| SCHEMBL31632660 | 0.79 | IRAK4 (0.55) | BCAT2KEAP1NFE2L2IRAK4LMNA | |
| SCHEMBL27704990 | 0.79 | KEAP1 (0.57) | BCAT2KEAP1NFE2L2IRAK4PARP1 | |
| Acetic Acid SCHEMBL8910187 | 0.78 | BCAT2 (0.53) | BCAT2KEAP1NFE2L2IRAK4LMNA | |
| Hydrochloric Acid SCHEMBL7849679 | 0.77 | IRAK4 (0.53) | BCAT2KEAP1NFE2L2IRAK4LMNA |
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 |