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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | RARB | P10826 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PLA2G2C | Q5R387 | 2/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11001295 | 0.80 | TSHR (0.45) | TSHRCYP3A4ALDH1A1RARBCES2 | |
| SCHEMBL10863262 | 0.80 | — | — | |
| Acetic Acid SCHEMBL29287060 | 0.80 | TSHR (0.56) | TSHRCYP3A4ALDH1A1RARBCES2 | |
| Acetic Acid SCHEMBL1996435 | 0.80 | TSHR (0.56) | TSHRCYP3A4ALDH1A1RARBCES2 | |
| Acetic Acid SCHEMBL16761012 | 0.80 | TSHR (0.56) | TSHRCYP3A4ALDH1A1RARBCES2 | |
| Acetic Acid SCHEMBL4617603 | 0.80 | TSHR (0.56) | TSHRCYP3A4ALDH1A1RARBCES2 | |
| Acetic Acid SCHEMBL14759095 | 0.80 | TSHR (0.56) | TSHRCYP3A4ALDH1A1RARBCES2 | |
| Acetic Acid SCHEMBL9616198 | 0.78 | TSHR (0.59) | TSHRCYP3A4ALDH1A1RARBCES2 | |
| Acetic Acid SCHEMBL37245 | 0.78 | TSHR (0.59) | TSHRCYP3A4ALDH1A1RARBCES2 | |
| Acetic Acid SCHEMBL28723481 | 0.78 | TSHR (0.59) | TSHRCYP3A4ALDH1A1RARBCES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106457402-A | Bonding material and bonding method using same | 同和电子科技有限公司 | 2017-02-22 | — | — | CN | disclosed |