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 | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14678 | 0.87 | CYP1A2 (0.57) | MGAMRAB9ACYP1A2KDM4ESMN1; SMN2 | |
| SCHEMBL29418017 | 0.87 | CYP1A2 (0.57) | MGAMRAB9ACYP1A2KDM4ESMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL30684640 | 0.85 | MGAM (0.53) | MGAMRAB9ACYP1A2MAP4K4CSNK1G2 | |
| Hydrochloric Acid SCHEMBL29862578 | 0.85 | CYP1A2 (0.55) | MGAMRAB9ACYP1A2KDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7362443 | 0.85 | CYP1A2 (0.55) | MGAMRAB9ACYP1A2KDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8324913 | 0.85 | CYP1A2 (0.55) | MGAMRAB9ACYP1A2KDM4ESMN1; SMN2 | |
| Ethylene SCHEMBL28325267 | 0.83 | CYP1A2 (0.53) | MGAMRAB9ACYP1A2KDM4ESMN1; SMN2 | |
| Citric Acid SCHEMBL28264671 | 0.79 | MGAM (0.47) | MGAMRAB9ACYP1A2KDRKDM4E | |
| Acetic Acid SCHEMBL28150882 | 0.79 | MGAM (0.57) | MGAMRAB9ACYP1A2MAP4K4CSNK1G2 | |
| SCHEMBL2853700 | 0.79 | ALDH1A1 (0.56) | MGAMRAB9ACYP1A2KDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0721944-B1 | IMIDAZOLIDINE DERIVATIVE AND USE THEREOF | SUNTORY LTD (JP) | 2001-01-17 | — | — | EP | disclosed |
| US-5691335-A | CARDIOVASCULAR DISORDERS | SUNTORY LIMITED (JP) | 1997-11-25 | — | — | US | disclosed |
| EP-0721944-A1 | IMIDAZOLIDINE DERIVATIVE AND USE THEREOF | SUNTORY LIMITED (JP) | 1996-07-17 | — | — | EP | disclosed |