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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.42 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 SCHEMBL4617603 | 0.91 | TSHR (0.56) | CYP3A4TSHRALDH1A1CES2RARB | |
| Acetic Acid SCHEMBL16761012 | 0.91 | TSHR (0.56) | CYP3A4TSHRALDH1A1CES2RARB | |
| Acetic Acid SCHEMBL1996435 | 0.91 | TSHR (0.56) | CYP3A4TSHRALDH1A1CES2RARB | |
| Acetic Acid SCHEMBL14759095 | 0.91 | TSHR (0.56) | CYP3A4TSHRALDH1A1CES2RARB | |
| Acetic Acid SCHEMBL29287060 | 0.91 | TSHR (0.56) | CYP3A4TSHRALDH1A1CES2RARB | |
| Acetic Acid SCHEMBL28723481 | 0.89 | TSHR (0.59) | CYP3A4TSHRALDH1A1CES2RARB | |
| Acetic Acid SCHEMBL37245 | 0.89 | TSHR (0.59) | CYP3A4TSHRALDH1A1CES2RARB | |
| Acetic Acid SCHEMBL9616198 | 0.89 | TSHR (0.59) | CYP3A4TSHRALDH1A1CES2RARB | |
| Succinic Acid SCHEMBL3687276 | 0.88 | ALDH1A1 (0.50) | CYP3A4TSHRALDH1A1RARBMEN1 | |
| Acetic Acid SCHEMBL356157 | 0.86 | ALDH1A1 (0.38) | CYP3A4TSHRALDH1A1CES2RARB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7026030-B2 | Recording, reproduction beams; antistaining agents; lubrication; wear resistance ; multilayer, recording layer, reflection layer on support substrate | TDK CORPORATION (JP) | 2006-04-11 | — | — | US | disclosed |
| US-20050112319-A1 | Optical information medium | TDK CORPORATION (JP) | 2005-05-26 | — | — | US | disclosed |