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 | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 7/20 | 0.68 |
| ▸ | APAF1 | O14727 | 1/20 | 0.62 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.62 |
| ▸ | RAD52 | P43351 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | APEX1 | P27695 | 3/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Cetrimonium SCHEMBL28083616 | 1.00 | DNM1 (0.68) | DNM1APAF1HSP90AA1RAD52MEN1 | |
| Acetic Acid SCHEMBL11028725 | 0.98 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52MEN1 | |
| Acetic Acid SCHEMBL10938686 | 0.98 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52MEN1 | |
| Acetic Acid SCHEMBL28465946 | 0.95 | DNM1 (0.68) | DNM1APAF1HSP90AA1RAD52MEN1 | |
| Tetrapropylammonium SCHEMBL27934903 | 0.94 | DNM1 (0.60) | DNM1APAF1HSP90AA1RAD52MEN1 | |
| Cetrimonium SCHEMBL28083618 | 0.94 | DNM1 (0.60) | DNM1APAF1HSP90AA1RAD52MEN1 | |
| Acetic Acid SCHEMBL28223166 | 0.94 | DNM1 (0.60) | DNM1APAF1HSP90AA1RAD52MEN1 | |
| Cetrimonium SCHEMBL28238131 | 0.93 | DNM1 (0.70) | DNM1APAF1HSP90AA1RAD52MEN1 | |
| Bicarbonate SCHEMBL27936723 | 0.93 | DNM1 (0.71) | DNM1APAF1HSP90AA1RAD52MEN1 | |
| Bicarbonate SCHEMBL5157446 | 0.91 | DNM1 (0.75) | DNM1APAF1HSP90AA1RAD52MEN1 |
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-110437629-A | It is a kind of for protecting the viscoplasticity anti-corrosion daub and preparation method of metal surface | QINGDAO HAIFULAI SAFETY TECH CO LTD | 2019-11-12 | — | — | CN | disclosed |
| CN-108812678-A | A kind of compound corrosion-retarding germicide | 河南省科学院能源研究所有限公司 | 2018-11-16 | — | — | CN | disclosed |
| CN-108165065-A | A kind of temperature curing epoxy low-polyester type powder paint delustering agent | 六安科瑞达新型材料有限公司 | 2018-06-15 | — | — | CN | disclosed |