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 | |
|---|---|---|---|---|
| ▸ | PLCG1 | P19174 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | CTDSP1 | Q9GZU7 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.43 |
| ▸ | SPOP | O43791 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
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 SCHEMBL10821202 | 1.00 | PLCG1 (0.68) | PLCG1L3MBTL1CTDSP1TDP1ALDH1A1 | |
| Acetic Acid SCHEMBL10821201 | 1.00 | PLCG1 (0.68) | PLCG1L3MBTL1CTDSP1TDP1ALDH1A1 | |
| SCHEMBL10840113 | 0.98 | PLCG1 (0.68) | PLCG1L3MBTL1CTDSP1TDP1ALDH1A1 | |
| SCHEMBL8533433 | 0.98 | PLCG1 (0.68) | PLCG1L3MBTL1CTDSP1TDP1ALDH1A1 | |
| SCHEMBL10820995 | 0.98 | PLCG1 (0.68) | PLCG1L3MBTL1CTDSP1TDP1ALDH1A1 | |
| SCHEMBL1010087 | 0.98 | PLCG1 (0.68) | PLCG1L3MBTL1CTDSP1TDP1ALDH1A1 | |
| SCHEMBL27938962 | 0.98 | PLCG1 (0.68) | PLCG1L3MBTL1CTDSP1TDP1ALDH1A1 | |
| Propionic Acid SCHEMBL11138117 | 0.95 | PLCG1 (0.66) | PLCG1L3MBTL1CTDSP1TDP1ALDH1A1 | |
| Methylene Chloride SCHEMBL11134298 | 0.95 | PLCG1 (0.65) | PLCG1L3MBTL1CTDSP1TDP1ALDH1A1 | |
| SCHEMBL11727713 | 0.92 | PLCG1 (0.62) | PLCG1L3MBTL1CTDSP1TDP1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0019401-B1 | PROCESS FOR PREPARING ENAMINE DERIVATIVES, COMPOUNDS SO PRODUCED AND PROCESS FOR PREPARING A 3-HYDROXY-CEPHALOSPORIN | Lilly Industries Limited (GB) | 1984-03-21 | — | — | EP | disclosed |
| EP-0014565-B1 | 3-HYDROXYCEPHALOSPORIN SOLVATES AND PROCESS FOR THEIR PRODUCTION | ELI LILLY AND COMPANY (US) | 1983-02-23 | — | — | EP | disclosed |
| US-4301280-A | Preparation of 3-substituted cephalosporins | LILLY INDUSTRIES LIMITED (GB) | 1981-11-17 | — | — | US | disclosed |
| US-4237279-A | Crystalline 3-hydroxycephalosporin solvates | ELI LILLY AND COMPANY (US) | 1980-12-02 | — | — | US | disclosed |
| EP-0019401-A1 | Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin | Lilly Industries Limited (GB) | 1980-11-26 | — | — | EP | disclosed |