Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Trifluoroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.31 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.31 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MLYCD | O95822 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4208428 | 0.97 | KCNJ1 (0.40) | KCNJ1L3MBTL1HSD17B10TTRSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL1505073 | 0.89 | ALDH1A1 (0.42) | KCNJ1L3MBTL1ALDH1A1DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL2989718 | 0.86 | ALDH1A1 (0.44) | KCNJ1L3MBTL1HSD17B10ALDH1A1DPP4 | |
| Trifluoroacetic Acid SCHEMBL8721639 | 0.83 | ALDH1A1 (0.42) | KCNJ1L3MBTL1ALDH1A1DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL28293684 | 0.83 | ALDH1A1 (0.42) | KCNJ1L3MBTL1ALDH1A1DPP4DPP8 | |
| Trifluoroacetic Acid SCHEMBL28222242 | 0.81 | ALDH1A1 (0.40) | KCNJ1L3MBTL1SMN1; SMN2ALDH1A1DPP4 | |
| Trifluoroacetic Acid SCHEMBL23043250 | 0.80 | ALDH1A1 (0.42) | L3MBTL1SMN1; SMN2ALDH1A1THRB | |
| Trifluoroacetic Acid SCHEMBL96736 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL21802705 | 0.80 | ALDH1A1 (0.42) | L3MBTL1SMN1; SMN2ALDH1A1THRB | |
| Trifluoroacetic Acid SCHEMBL8820428 | 0.80 | ALDH1A1 (0.42) | L3MBTL1SMN1; SMN2ALDH1A1THRB |
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 |
|---|---|---|---|---|---|---|---|
| US-5248779-A | Synthesis of nojirimycin derivatives | MONSANTO COMPANY (US) | 1993-09-28 | — | — | US | disclosed |
| US-5200523-A | Synthesis of nojirimycin derivatives | MONSANTO COMPANY (US) | 1993-04-06 | — | — | US | disclosed |
| EP-0423099-A1 | Synthesis of nojirimycin derivatives | Monsanto Company (US) | 1991-04-17 | — | — | EP | disclosed |