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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL129034 | 0.96 | TSHR (0.59) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL28832982 | 0.94 | TSHR (0.57) | TSHRTHRBALDH1A1POLBAPEX1 | |
| Trimethylammonium SCHEMBL5577122 | 0.91 | TSHR (0.53) | TSHRTHRBALDH1A1 | |
| Acrylic Acid SCHEMBL8853534 | 0.90 | TSHR (0.49) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL28190290 | 0.89 | TSHR (0.52) | TSHRTHRBALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL94906 | 0.84 | TSHR (0.68) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL29842311 | 0.83 | TSHR (0.42) | TSHRTHRBALDH1A1 | |
| SCHEMBL19998240 | 0.82 | TSHR (0.65) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL6131210 | 0.80 | TSHR (0.53) | TSHRTHRBALDH1A1TDP1 | |
| Bicarbonate SCHEMBL28904630 | 0.79 | TSHR (0.57) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0213317-B1 | BASE-CATALYZED, LOW TEMPERATURE SELF-CROSSLINKING POLYMERS | National Starch and Chemical Investment Holding Corporation (US) | 1991-12-04 | — | — | EP | claimed |
| EP-0213317-A2 | Base-catalyzed, low temperature self-crosslinking polymers | National Starch and Chemical Investment Holding Corporation (US) | 1987-03-11 | — | — | EP | claimed |
| US-4192685-A | POLY(METH)ACRYLATE COMPOUND, UNSATURATED AMIDE, UNSATURATED ESTER AS CROSSLINKERS | TEIJIN LIMITED (JP) | 1980-03-11 | — | — | US | claimed |