Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Acetone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.43 |
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.43 |
| ▸ | CHRM4 known ✓ | P08173 | 3/20 | 0.43 |
| ▸ | CHRM5 known ✓ | P08912 | 3/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.43 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
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 SCHEMBL1244200 | 0.92 | CHRM1 (0.41) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| Acetic Acid SCHEMBL376170 | 0.92 | CHRM1 (0.41) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| Acetic Acid SCHEMBL27616258 | 0.90 | CHRM2 (0.40) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| Acetic Acid SCHEMBL27740484 | 0.90 | CHRM2 (0.40) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| Bicarbonate SCHEMBL7562410 | 0.89 | CHRM2 (0.38) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| Acetone SCHEMBL2009017 | 0.88 | CHRM2 (0.44) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| Acetonitrile SCHEMBL9387131 | 0.85 | ALDH1A1 (0.46) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| Acetonitrile SCHEMBL3229304 | 0.85 | ALDH1A1 (0.33) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| Acetonitrile SCHEMBL1508842 | 0.85 | ALDH1A1 (0.33) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| Acetone SCHEMBL3715272 | 0.85 | LMNA (0.46) | CHRM1CHRM2CHRM4CHRM5CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6770740-B1 | PEPTIDE- DNA CARRIER COMPOSITIONS AND CONDENSED PARTICLES WITH REDUCED TOXICITY AND INCREASED STABILITY; USED IN COMBINATION WITH BIOCOMPATIBLE MATRICES, CARRIERS AND/OR TARGETING AGENTS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN | 2004-08-03 | — | — | US | disclosed |
| WO-2001004135-A2 | CROSSLINKED DNA CONDENSATE COMPOSITIONS AND GENE DELIVERY METHODS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2001-01-18 | — | — | WO | disclosed |