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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.32 |
| ▸ | CTH | P32929 | 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 | |
|---|---|---|---|---|
| SCHEMBL41031 | 0.94 | TSHR (0.36) | TSHRTHRBGABRR1 | |
| Ammonia Solution, Strong SCHEMBL3663515 | 0.92 | TSHR (0.35) | TSHRTHRBGABRR1 | |
| Hydrochloric Acid SCHEMBL2533776 | 0.92 | TSHR (0.35) | TSHRTHRBGABRR1 | |
| Chloromethane SCHEMBL543091 | 0.91 | TSHR (0.34) | TSHRTHRB | |
| Acrylic Acid SCHEMBL8037578 | 0.88 | TSHR (0.34) | TSHRCTH | |
| Sulfuric Acid SCHEMBL5068577 | 0.87 | TSHR (0.32) | TSHRTHRB | |
| SCHEMBL13372705 | 0.86 | TSHR (0.33) | TSHRTHRB | |
| SCHEMBL3210119 | 0.86 | ALDH1A1 (0.48) | TSHRTHRB | |
| Ethyl Acetate SCHEMBL7212281 | 0.86 | ALDH1A1 (0.45) | TSHRTHRB | |
| SCHEMBL4247267 | 0.85 | THRB (0.31) | TSHRTHRB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4745154-A | THICKENERS, FLOCCULANTS, DRILLING FLUIDS | ALCO CHEMICAL CORPORATION (US) | 1988-05-17 | — | — | US | claimed |
| EP-0644255-B1 | Method for separating finely divided solids suspended in nonpolar liquids by flocculation and sedimentation | NC DEV INC (US) | 1999-12-08 | — | — | EP | disclosed |
| US-5447638-A | Treating with amine or quaternary salt | NCH CORPORATION (US) | 1995-09-05 | — | — | US | disclosed |
| EP-0644255-A2 | Method for flocculating finely divided solids suspended in nonpolar liquids | NC DEVELOPMENT INC (US) | 1995-03-22 | — | — | EP | disclosed |
| US-4745154-A | THICKENERS, FLOCCULANTS, DRILLING FLUIDS | ALCO CHEMICAL CORPORATION (US) | 1988-05-17 | — | — | US | disclosed |