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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL99361 | 0.96 | TSHR (0.65) | TSHRMEN1THRBHTTKMT2A | |
| Acetic Acid SCHEMBL6918388 | 0.93 | TSHR (0.54) | TSHRMEN1THRBHTTKMT2A | |
| Acetic Acid SCHEMBL7600113 | 0.93 | TSHR (0.54) | TSHRMEN1THRBHTTKMT2A | |
| Butoxyethanol SCHEMBL587577 | 0.89 | TSHR (0.77) | TSHRMEN1THRBHTTKMT2A | |
| 1,3-Propanediol SCHEMBL4332272 | 0.89 | TSHR (0.62) | TSHRMEN1THRBHTTKMT2A | |
| Acetic Acid SCHEMBL6435690 | 0.89 | MEN1 (0.61) | TSHRMEN1THRBHTTKMT2A | |
| Di(Hydroxyethyl)Ether SCHEMBL4453213 | 0.89 | TSHR (0.77) | TSHRMEN1THRBHTTKMT2A | |
| 1,4-Butanediol SCHEMBL4318090 | 0.89 | TSHR (0.62) | TSHRMEN1THRBHTTKMT2A | |
| Ethylene Glycol SCHEMBL23499010 | 0.89 | TSHR (0.75) | TSHRMEN1THRBHTTKMT2A | |
| Ethylene Glycol SCHEMBL986168 | 0.89 | TSHR (0.75) | TSHRMEN1THRBHTTKMT2A |
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-20070298259-A1 | Polymer coated metal oxide fine particles and their applications | NIPPON SHOKUBAI CO., LTD. (JP) | 2007-12-27 | — | — | US | disclosed |