Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Iodofalan. 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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.66 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.56 |
| ▸ | LCK known ✓ | P06239 | 1/20 | 0.56 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.56 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.56 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.53 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.53 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.53 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.53 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.53 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.53 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.53 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.53 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.67 |
| ▸ | PKM | P14618 | 2/20 | 0.66 |
| ▸ | ALPI | P09923 | 1/20 | 0.66 |
| ▸ | XIAP | P98170 | 1/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Iodofalan SCHEMBL3385531 | 1.00 | SLC7A5 (0.67) | SLC7A5PTGS1PKMALPIXIAP | |
| Iodofalan SCHEMBL44619 | 0.98 | SLC7A5 (0.69) | SLC7A5PTGS1PKMALPIXIAP | |
| Iodofalan SCHEMBL44618 | 0.98 | SLC7A5 (0.69) | SLC7A5PTGS1PKMALPIXIAP | |
| Iodofalan SCHEMBL44620 | 0.98 | SLC7A5 (0.69) | SLC7A5PTGS1PKMALPIXIAP | |
| Iodofalan SCHEMBL23824892 | 0.96 | SLC7A5 (0.67) | SLC7A5PTGS1PKMALPIXIAP | |
| SCHEMBL31369954 | 0.93 | SLC7A5 (0.62) | SLC7A5PTGS1PKMALPIXIAP | |
| Fenclonine SCHEMBL8710394 | 0.90 | SLC7A5 (0.59) | SLC7A5PTGS1PKMALPIXIAP | |
| Iodofalan SCHEMBL28790138 | 0.88 | SLC7A5 (0.57) | SLC7A5PTGS1PKMALPIXIAP | |
| SCHEMBL2310526 | 0.88 | SLC7A5 (0.83) | SLC7A5PTGS1PKMALPIXIAP | |
| Dl-Phenylalanine SCHEMBL27898591 | 0.87 | SLC7A5 (0.81) | SLC7A5PTGS1PKMALPIXIAP |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611771-B1 | SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES | BOEHRINGER INGELHEIM INT (DE) | 2016-11-23 | — | — | EP | disclosed |
| US-8835472-B2 | Compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-09-16 | — | — | US | disclosed |
| EP-2611771-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | Boehringer Ingelheim International GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| US-20120214785-A1 | New compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-23 | — | — | US | disclosed |
| WO-2012028676-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-08 | — | — | WO | disclosed |
| US-6960597-B2 | Aza-bridged-bicyclic amino acid derivatives as α4 integrin antagonists | ORTH-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-11-01 | — | — | US | disclosed |
| EP-1303492-A2 | AZA-BRIDGED-BICYCLIC AMINO ACID DERIVATIVES AS ALPHA 4 INTEGRIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-04-23 | — | — | EP | disclosed |
| US-20020091115-A1 | Aza-bridged-bicyclic amino acid derivatives as alpha4 integrin antagonists | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-07-11 | — | — | US | disclosed |
| WO-2002002556-A2 | AZA-BRIDGED-BICYCLIC AMINO ACID DERIVATIVES AS α4 INTEGRIN ANTAGONISTS | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2002-01-10 | — | — | 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 (2 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-20120214785-A1 | New compounds, pharmaceutical compositions and uses thereof | ABCG2, PGA5, PDE6G | PTGS1 356/4885EGFR 3708/4885LCK 3948/4885 |
| US-20020091115-A1 | Aza-bridged-bicyclic amino acid derivatives as alpha4 integrin antagonists | ITGA4, ITGA1, ITGB4 | PTGS1 1577/4885EGFR 454/4885LCK 321/4885 |
“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.