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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.40 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.38 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.47 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.47 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.47 |
| ▸ | S100A4 | P26447 | 1/20 | 0.44 |
| ▸ | NSD2 | O96028 | 5/20 | 0.43 |
| ▸ | HK1 | P19367 | 2/20 | 0.43 |
| ▸ | TDP2 | O95551 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | CDC25A | P30304 | 5/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.42 |
| ▸ | APEX1 | P27695 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29440919 | 0.82 | IDO1 (0.68) | IDO1DNMT1DNMT3LDNMT3AS100A4 | |
| SCHEMBL119489 | 0.82 | IDO1 (0.68) | IDO1DNMT1DNMT3LDNMT3AS100A4 | |
| SCHEMBL21294602 | 0.81 | IDO1 (0.47) | IDO1DNMT1DNMT3LDNMT3AS100A4 | |
| Tert-Butanol SCHEMBL1458212 | 0.80 | IDO1 (0.54) | IDO1DNMT1DNMT3LDNMT3AS100A4 | |
| Anthraquinone SCHEMBL7263957 | 0.78 | MEN1 (0.57) | S100A4TDP2MAPTNPC1RAB9A | |
| Formic Acid SCHEMBL29070823 | 0.78 | IDO1 (0.56) | IDO1DNMT1DNMT3LDNMT3AS100A4 | |
| Methylene Chloride SCHEMBL6033829 | 0.77 | IDO1 (0.60) | IDO1DNMT1DNMT3LDNMT3AS100A4 | |
| SCHEMBL27864640 | 0.69 | IDO1 (0.58) | IDO1DNMT1DNMT3LDNMT3AS100A4 | |
| Chlorobenzene SCHEMBL11116080 | 0.68 | TSHR (0.55) | MAPTNPC1RAB9AALDH1A1KMT2A | |
| Aniline SCHEMBL3769652 | 0.68 | TSHR (0.55) | MAPTPOLBMAPK1L3MBTL1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-20090054376-A1 | BENZOFURAN DERIVATIVES WITH THERAPEUTIC ACTIVITIES | PHARMOS CORPORATION | 2009-02-26 | — | — | US | disclosed |
| EP-1885709-A2 | BENZOFURAN DERIVATIVES WITH THERAPEUTIC ACTIVITIES | Pharmos Corporation (US) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006129318-A2 | BENZOFURAN DERIVATIVES WITH THERAPEUTIC ACTIVITIES | PHARMOS CORPORATION (US) | 2006-12-07 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090054376-A1 | BENZOFURAN DERIVATIVES WITH THERAPEUTIC ACTIVITIES | CNR2, CNR1, TRPV1 | MEN1 4733/4885THRB 4827/4885ADORA2A 1941/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.