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 | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | ACMSD | Q8TDX5 | 3/20 | 0.42 |
| ▸ | HNF4A | P41235 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL28414719 | 0.84 | — | — | |
| Acetic Acid SCHEMBL1662353 | 0.83 | RARA (0.47) | MAPTNPC1POLBRAB9AAPP | |
| Lactic Acid SCHEMBL3833420 | 0.82 | TP53 (0.46) | EGFRAPPCNR2MCL1ALOX5 | |
| Formaldehyde SCHEMBL29018323 | 0.81 | — | — | |
| Iodide SCHEMBL28785231 | 0.81 | — | — | |
| SCHEMBL5951935 | 0.79 | APP (0.48) | EGFRMAPTNPC1POLBRAB9A | |
| Acetic Acid SCHEMBL28566741 | 0.79 | MAPT (0.50) | EGFRMAPTPOLBCNR2MCL1 | |
| Acetic Acid SCHEMBL11041891 | 0.78 | HSD17B1 (0.53) | MCL1HSD17B1 | |
| SCHEMBL17384107 | 0.78 | ACMSD (0.71) | MAPTMCL1HSD17B10ACMSDHNF4A | |
| Formic Acid SCHEMBL29046238 | 0.77 | APP (0.46) | EGFRMAPTRAB9AAPPALOX5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113025502-B | Heavy metal resistant novel pestalotiopsis microorganism and application thereof | 湖南科技大学 | 2022-05-13 | — | — | CN | disclosed |
| CN-114107063-A | Aspergillus fumigatus strain and application thereof | 中国烟草总公司贵州省公司 | 2022-03-01 | — | — | CN | disclosed |
| CN-113025502-A | Heavy metal resistant novel pestalotiopsis microorganism and application thereof | 湖南科技大学 | 2021-06-25 | — | — | CN | disclosed |