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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.52 |
| ▸ | NSD2 | O96028 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | ATIC | P31939 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Triphenylene SCHEMBL27947419 | 0.83 | CES2 (0.50) | KDM4EMEN1MAPTKMT2APOLB | |
| SCHEMBL27740 | 0.83 | IDO1 (0.53) | KDM4EMEN1MAPTKMT2APOLB | |
| SCHEMBL29648165 | 0.83 | IDO1 (0.53) | KDM4EMEN1MAPTKMT2APOLB | |
| SCHEMBL6450325 | 0.78 | DHODH (0.50) | KDM4EMEN1MAPTKMT2AHSD17B10 | |
| SCHEMBL31039922 | 0.78 | DHODH (0.50) | KDM4EMEN1MAPTKMT2AHSD17B10 | |
| Acetic Acid SCHEMBL11385294 | 0.77 | CES2 (0.50) | KDM4EMEN1MAPTKMT2APOLB | |
| Vitamin K3H2 SCHEMBL515420 | 0.77 | HTT (0.81) | KDM4EMEN1MAPTKMT2APOLB | |
| Vitamin K3H2 SCHEMBL5075246 | 0.77 | HTT (0.81) | KDM4EMEN1MAPTKMT2APOLB | |
| SCHEMBL30503415 | 0.76 | PADI4 (0.55) | KDM4EMEN1MAPTKMT2APOLB | |
| SCHEMBL888293 | 0.76 | PADI4 (0.55) | KDM4EMEN1MAPTKMT2APOLB |
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-3971823-A | HYPOTENSIVE | E. R. SQUIBB & SONS, INC. (US) | 1976-07-27 | — | — | US | disclosed |