Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Anisole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | EDNRA | P25101 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL3738090 | 0.97 | CA4 (0.45) | CA4CES2CES1CA1CA2 | |
| Anisole SCHEMBL250580 | 0.86 | CA4 (0.61) | CA4CES2CES1CA1CA2 | |
| Anisole SCHEMBL28145757 | 0.86 | CA4 (0.61) | CA4CES2CES1CA1CA2 | |
| Anisole SCHEMBL28177334 | 0.86 | CA4 (0.61) | CA4CES2CES1CA1CA2 | |
| Anisole SCHEMBL7562607 | 0.86 | CA4 (0.61) | CA4CES2CES1CA1CA2 | |
| Anisole SCHEMBL7204405 | 0.85 | CA4 (0.50) | CA4CES2CES1CA1CA2 | |
| Anisole SCHEMBL8331609 | 0.84 | CA4 (0.64) | CA4CES2CES1CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL3190348 | 0.81 | CA12 (0.39) | CA4CES2CES1CA1CA2 | |
| Anisole SCHEMBL2335694 | 0.80 | CA4 (0.52) | CA4CES2CES1PPARGPPARA | |
| Anisole SCHEMBL8581158 | 0.79 | CA4 (0.44) | CA4CES2CES1PPARGPPARA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200155702-A1 | Engineered Antibody Compounds and Conjuates Thereof | ELI LILLY AND COMPANY | 2020-05-21 | — | — | US | disclosed |
| EP-3638699-A1 | ENGINEERED ANTIBODY COMPOUNDS AND CONJUGATES THEREOF | Eli Lilly and Company (US) | 2020-04-22 | — | — | EP | disclosed |
| WO-2018232088-A1 | ENGINEERED ANTIBODY COMPOUNDS AND CONJUGATES THEREOF | ELI LILLY AND COMPANY (US) | 2018-12-20 | — | — | WO | disclosed |
| EP-0831938-B1 | RADIOLABELED PEPTIDE COMPOSITIONS FOR SITE-SPECIFIC TARGETING | MALLINCKRODT INC (US) | 2008-05-21 | — | — | EP | disclosed |
| EP-0831938-A4 | RADIOLABELED PEPTIDE COMPOSITIONS FOR SITE-SPECIFIC TARGETING | MALLINCKRODT MEDICAL INC (US) | 2001-12-05 | — | — | EP | disclosed |
| US-5830431-A | SOMATOSTATIN OR DERIVATIVES COUPLED TO RADIONUCLIDE BY CHELATING AGENT | MALLINCKRODT MEDICAL, INC. (US) | 1998-11-03 | — | — | US | disclosed |
| US-5804157-A | SOMATOSTATIN WITH UNMODIFIED CARBOXY TERMINAL AMINO ACID;DIAGNOSTIC OR THERAPUTIC USE FOR TARGETING BIOLOGICAL SITE; | MALLINCKRODT MEDICAL, INC. (US) | 1998-09-08 | — | — | US | disclosed |
| EP-0831938-A1 | RADIOLABELED PEPTIDE COMPOSITIONS FOR SITE-SPECIFIC TARGETING | MALLINCKRODT MEDICAL, INC. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040291-A1 | RADIOLABELED PEPTIDE COMPOSITIONS FOR SITE-SPECIFIC TARGETING | MALLINCKRODT MEDICAL, INC. (US) | 1996-12-19 | — | — | WO | disclosed |
| WO-1996023527-A9 | METHOD FOR THE DETECTION AND LOCALIZATION OF MALIGNANT HUMAN TUMOURS | — | 1996-10-03 | — | — | WO | disclosed |
| WO-1996023527-A1 | METHOD FOR THE DETECTION AND LOCALIZATION OF MALIGNANT HUMAN TUMOURS | MALLINCKRODT MEDICAL, INC. (US) | 1996-08-08 | — | — | 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-20200155702-A1 | Engineered Antibody Compounds and Conjuates Thereof | CD47, PDCD1LG2, ICOS | DPP4 2831/4885CA4 870/4885CES2 2459/4885 |
“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.