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 | 4/20 | 0.70 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 6/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL28018808 | 0.96 | TSHR (0.75) | TSHRTHRBALDH1A1POLBAPEX1 | |
| Acetic Acid SCHEMBL27968233 | 0.94 | TSHR (0.78) | TSHRTHRBALDH1A1POLBAPEX1 | |
| Dimethylamine SCHEMBL500187 | 0.91 | TSHR (0.85) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL11583525 | 0.90 | TSHR (0.84) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL14893 | 0.90 | TSHR (0.84) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL19066401 | 0.90 | TSHR (0.84) | TSHRTHRBALDH1A1POLBAPEX1 | |
| Dimethylamine SCHEMBL8101078 | 0.89 | TSHR (0.89) | TSHRTHRBALDH1A1POLBAPEX1 | |
| Methacrylic Acid SCHEMBL9422682 | 0.89 | TSHR (0.75) | TSHRTHRBALDH1A1POLBAPEX1 | |
| Methacrylic Acid SCHEMBL8406971 | 0.89 | TSHR (0.75) | TSHRTHRBALDH1A1POLBAPEX1 | |
| Methacrylic Acid SCHEMBL8427966 | 0.89 | TSHR (0.75) | TSHRTHRBALDH1A1POLBAPEX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5760136-A | FORMING AN ADDITION-CONDENSATION COPOLYMER BY POLYMERIZING AN AZO-CONTAINING POLYSILOXANE AND AN UNSATURATED MONOMER; CATIONIC AND NONIONIC POLYMERS; POLYAMPHOLYTES; COATINGS; ADHESIVES; PAINTS; HAIR COSMETICS | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-02 | — | — | US | claimed |
| EP-0779318-B1 | Silicon-containing block copolymer | WAKO PURE CHEMICAL INDUSTIES L (JP) | 2000-02-16 | — | — | EP | disclosed |
| EP-0779318-A1 | Silicon-containing block copolymer | Wako Pure Chemical Industries, Ltd. (JP) | 1997-06-18 | — | — | EP | disclosed |