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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | ALPL | P05186 | 2/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | LIPA | P38571 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | FPR3 | P25089 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | F7 | P08709 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23745424 | 0.91 | EPHX1 (0.52) | EPHX1EPHX2ALPLALPIALPG | |
| Acetic Acid SCHEMBL28363861 | 0.87 | POLB (0.39) | EPHX1EPHX2SMN1; SMN2ALDH1A1MAPT | |
| Acetic Acid SCHEMBL3959957 | 0.80 | SMYD3 (0.43) | F2 | |
| Acetic Acid SCHEMBL1764210 | 0.80 | SMYD3 (0.43) | F2 | |
| Acetic Acid SCHEMBL1763976 | 0.80 | SMYD3 (0.43) | F2 | |
| SCHEMBL27556384 | 0.80 | EPHX1 (0.61) | EPHX1EPHX2ALPLALPIALPG | |
| SCHEMBL23745534 | 0.80 | EPHX1 (0.61) | EPHX1EPHX2ALPLALPIALPG | |
| SCHEMBL23573423 | 0.77 | EPHX1 (0.63) | EPHX1EPHX2ALPLALPIALPG | |
| SCHEMBL25689877 | 0.77 | EPHX1 (0.63) | EPHX1EPHX2ALPLALPIALPG | |
| SCHEMBL1176981 | 0.77 | EPHX1 (0.63) | EPHX1EPHX2ALPLALPIALPG |
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 |
|---|---|---|---|---|---|---|---|
| CN-105418363-A | Synthetic method for 4-tertiary butyl cyclohexaneacetic acid | SHANDONG CHUANCHENG PHARMACEUTICAL CO LTD | 2016-03-23 | — | — | CN | claimed |
| CN-107511067-A | deodorant of industrial waste gas and preparation method thereof | 珠海蓝天环保科技有限公司 | 2017-12-26 | — | — | CN | disclosed |
| CN-105418363-A | Synthetic method for 4-tertiary butyl cyclohexaneacetic acid | SHANDONG CHUANCHENG PHARMACEUTICAL CO LTD | 2016-03-23 | — | — | CN | disclosed |