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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.43 |
| ▸ | PGK1 | P00558 | 3/20 | 0.42 |
| ▸ | PGK2 | P07205 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL176968 | 0.90 | CA2 (0.52) | CA2CA4CA5APBRM1ALDH1A1 | |
| Fluoride SCHEMBL11417486 | 0.88 | CA2 (0.50) | CA2CA4CA5APBRM1ALDH1A1 | |
| Nitrogen SCHEMBL28900466 | 0.86 | CA2 (0.48) | CA2CA4CA5APBRM1ALDH1A1 | |
| Acetic Acid SCHEMBL9478396 | 0.80 | CYP3A4 (0.63) | CA2PBRM1ALDH1A1NPC1MITF | |
| Acetic Acid SCHEMBL7118199 | 0.80 | CYP3A4 (0.63) | CA2PBRM1ALDH1A1NPC1MITF | |
| Acetic Acid SCHEMBL11077567 | 0.80 | CYP3A4 (0.63) | CA2PBRM1ALDH1A1NPC1MITF | |
| SCHEMBL13713755 | 0.79 | CYP3A4 (0.44) | CA2CA4CA5APBRM1ALDH1A1 | |
| SCHEMBL29410980 | 0.78 | CYP3A4 (0.48) | CA2CA4CA5APBRM1ALDH1A1 | |
| SCHEMBL15158299 | 0.78 | CYP3A4 (0.48) | CA2CA4CA5APBRM1ALDH1A1 | |
| Phenylphosphonic Acid SCHEMBL755433 | 0.78 | CA2 (0.80) | CA2CA4CA5AALDH1A1PGK1 |
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-115490312-A | Sewage treatment mechanism based on sewage cycle is recycled | 华钰建设集团有限公司 | 2022-12-20 | — | — | CN | disclosed |
| WO-2011067382-A1 | A LITHOGRAPHIC PRINTING PLATE PRECURSOR | AGFA GRAPHICS NV (BE) | 2011-06-09 | — | — | WO | disclosed |