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 | |
|---|---|---|---|---|
| ▸ | CTDSP1 | Q9GZU7 | 3/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL9573734 | 0.93 | CTDSP1 (0.42) | CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA | |
| Hydrogen Peroxide SCHEMBL9196247 | 0.90 | CTDSP1 (0.46) | CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA | |
| Acetic Acid SCHEMBL27527537 | 0.90 | L3MBTL1 (0.36) | CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA | |
| Acetic Acid SCHEMBL189531 | 0.86 | CTDSP1 (0.38) | CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA | |
| Methyl Alcohol SCHEMBL28141714 | 0.85 | CTDSP1 (0.46) | CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA | |
| SCHEMBL1031219 | 0.84 | CTDSP1 (0.50) | CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA | |
| SCHEMBL17627829 | 0.84 | CTDSP1 (0.50) | CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA | |
| SCHEMBL28083324 | 0.84 | CTDSP1 (0.50) | CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA | |
| SCHEMBL8427 | 0.84 | CTDSP1 (0.50) | CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA | |
| Benzene SCHEMBL27563818 | 0.82 | CTDSP1 (0.45) | CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA |
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-105837661-A | Melanocortin receptor ligands | 益普生制药股份有限公司 | 2016-08-10 | — | — | CN | disclosed |
| CN-102170895-A | Glucose-dependent insulinotropic polypeptide analogs | IPSEN PHARMA SAS | 2011-08-31 | — | — | CN | disclosed |