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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.36 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 SCHEMBL29142230 | 0.98 | MEN1 (0.43) | MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11 | |
| Bicarbonate SCHEMBL28941873 | 0.95 | MEN1 (0.42) | MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11 | |
| Acetic Acid SCHEMBL35015 | 0.92 | MEN1 (0.43) | MEN1HSP90AA1KMT2ASMN1; SMN2 | |
| SCHEMBL28995062 | 0.92 | MEN1 (0.40) | MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11 | |
| Oxalic Acid SCHEMBL29142240 | 0.92 | HSP90AA1 (0.43) | MEN1HSP90AA1KMT2ASMN1; SMN2CHRM2 | |
| Bicarbonate SCHEMBL2127090 | 0.92 | MEN1 (0.40) | MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11 | |
| Oxalic Acid SCHEMBL29142239 | 0.91 | SMN1; SMN2 (0.40) | MEN1HSP90AA1KMT2ASMN1; SMN2 | |
| Bicarbonate SCHEMBL5032083 | 0.90 | MEN1 (0.41) | MEN1HSP90AA1KMT2ASMN1; SMN2 | |
| Fluoride SCHEMBL28788477 | 0.89 | ABCB11 (0.39) | ABCB11ESR1PGRCHRM2HTR1A | |
| SCHEMBL34968 | 0.89 | ABCB11 (0.39) | ABCB11ESR1PGRCHRM2HTR1A |
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-112619683-A | g-C co-modified by iron phthalocyanine and tungsten oxide3N4Catalyst and preparation method thereof | 南开大学 | 2021-04-09 | — | — | CN | disclosed |