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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
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 SCHEMBL8540615 | 1.00 | SMN1; SMN2 (0.55) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| Acetic Acid SCHEMBL6056055 | 1.00 | SMN1; SMN2 (0.55) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| Acetic Acid SCHEMBL28154484 | 0.95 | HIF1A (0.50) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| SCHEMBL29342 | 0.88 | TAAR1 (0.56) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL11047140 | 0.86 | TAAR1 (0.54) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL28900483 | 0.86 | TAAR1 (0.54) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| Sulfuric Acid SCHEMBL28590007 | 0.85 | SMN1; SMN2 (0.50) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| Acetic Acid SCHEMBL237340 | 0.85 | SMN1; SMN2 (0.55) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| Acetic Acid SCHEMBL306033 | 0.83 | SLC6A2 (0.53) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 | |
| Acetic Acid SCHEMBL15865238 | 0.83 | SLC6A2 (0.53) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101781317-B | Method for preparing cephapirin benzathine | GUANGZHOU BAIYUNSHAN PHARMACEUTICAL FACTORY GUANGZHOU BAIYUNSHAN PHARMACEUTICAL CO LTD | 2012-03-28 | — | — | CN | disclosed |
| CN-101781317-A | Method for preparing cephapirin benzathine | GUANGZHOU BAIYUNSHAN PHARMACEU | 2010-07-21 | — | — | CN | disclosed |