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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | ACACA | Q13085 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | GGT1 | P19440 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL37688 | 0.96 | TSHR (0.39) | CYP2D6TSHRCYP2C19HIF1AACACB | |
| SCHEMBL19177138 | 0.94 | CYP2D6 (0.38) | CYP2D6TSHRCYP2C19HIF1AACACB | |
| SCHEMBL1452917 | 0.94 | CYP2D6 (0.38) | CYP2D6TSHRCYP2C19HIF1AACACB | |
| SCHEMBL28391065 | 0.94 | CYP2D6 (0.38) | CYP2D6TSHRCYP2C19HIF1AACACB | |
| Hydrochloric Acid SCHEMBL4619800 | 0.94 | CYP2D6 (0.38) | CYP2D6TSHRCYP2C19HIF1AACACB | |
| SCHEMBL23175300 | 0.94 | CYP2D6 (0.38) | CYP2D6TSHRCYP2C19HIF1AACACB | |
| SCHEMBL17911359 | 0.94 | CYP2D6 (0.38) | CYP2D6TSHRCYP2C19HIF1AACACB | |
| SCHEMBL1938911 | 0.94 | CYP2D6 (0.38) | CYP2D6TSHRCYP2C19HIF1AACACB | |
| SCHEMBL21402676 | 0.94 | CYP2D6 (0.38) | CYP2D6TSHRCYP2C19HIF1AACACB | |
| SCHEMBL7147409 | 0.94 | CYP2D6 (0.38) | CYP2D6TSHRCYP2C19HIF1AACACB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118343819-A | Method for efficiently removing harmful impurities in phosphogypsum | 浙江大学 | 2024-07-16 | — | — | CN | disclosed |
| EP-0912715-A1 | GRANULATES OF A PERFUMED PRODUCT WITH CONTROLLED RELEASING, METHOD OF PRODUCTION AND USE IN DETERGENT COMPOSITIONS FOR DISH WASHER | RHODIA CHIMIE (FR) | 1999-05-06 | — | — | EP | disclosed |
| WO-1998002518-A1 | GRANULATES OF A PERFUMED PRODUCT WITH CONTROLLED RELEASING, METHOD OF PRODUCTION AND USE IN DETERGENT COMPOSITIONS FOR DISH WASHER | RHODIA CHIMIE (FR) | 1998-01-22 | — | — | WO | disclosed |