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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CTH | P32929 | 1/20 | 0.35 |
| ▸ | CBS | P35520 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7866878 | 0.98 | ALDH1A1 (0.40) | ALDH1A1TSHRCTHCBSTHPO | |
| SCHEMBL157312 | 0.95 | — | — | |
| SCHEMBL6534540 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TSHRCTHCBSTHPO | |
| SCHEMBL18244613 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TSHRCTHCBSTHPO | |
| SCHEMBL5702814 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TSHRCTHCBSTHPO | |
| SCHEMBL3791284 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TSHRCTHCBSTHPO | |
| SCHEMBL14660364 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TSHRCTHCBSTHPO | |
| SCHEMBL21876707 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TSHRCTHCBSTHPO | |
| SCHEMBL21877046 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TSHRCTHCBSTHPO | |
| SCHEMBL102373 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TSHRCTHCBSTHPO |
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-109311864-A | Heteroaryl substituted pyridines and methods of use | 艾伯维公司 | 2019-02-05 | — | — | CN | disclosed |