Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Befetupitant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 19/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.73 |
| ▸ | TACR3 | P29371 | 6/20 | 0.62 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Befetupitant SCHEMBL29374667 | 0.99 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| Befetupitant SCHEMBL1399438 | 0.99 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| Hydrochloric Acid SCHEMBL6633807 | 0.91 | TACR1 (0.81) | TACR1CYP3A4TACR3 | |
| Netupitant SCHEMBL30800106 | 0.90 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL6637560 | 0.90 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL17222804 | 0.90 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL13593642 | 0.90 | TACR1 (0.84) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL2184409 | 0.90 | TACR1 (0.82) | TACR1CYP3A4TACR3 | |
| Netupitant SCHEMBL445804 | 0.90 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL29809811 | 0.90 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130189362-A1 | NOVEL DOSAGE FORMULATION | HOFFMANN-LA ROCHE INC. (US) | 2013-07-25 | — | — | US | claimed |
| US-20110070303-A1 | NOVEL DOSAGE FORMULATION | AHMED HASHIM A | 2011-03-24 | — | — | US | claimed |
| EP-1928427-B1 | NOVEL DOSAGE FORMULATION | HOFFMANN LA ROCHE (CH) | 2009-12-30 | — | — | EP | claimed |
| EP-1928427-A1 | NOVEL DOSAGE FORMULATION | F.HOFFMANN-LA ROCHE AG (CH) | 2008-06-11 | — | — | EP | claimed |
| WO-2007039420-A1 | NOVEL DOSAGE FORMULATION | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-12 | — | — | WO | claimed |
| US-20070071813-A1 | Novel dosage formulation | AHMED HASHIM A | 2007-03-29 | — | — | US | claimed |
| US-8852634-B2 | Dosage formulation | HOFFMANN-LA ROCHE INC. (US) | 2014-10-07 | — | — | US | disclosed |
| US-20130189362-A1 | NOVEL DOSAGE FORMULATION | HOFFMANN-LA ROCHE INC. (US) | 2013-07-25 | — | — | US | disclosed |
| US-20110070303-A1 | NOVEL DOSAGE FORMULATION | AHMED HASHIM A | 2011-03-24 | — | — | US | disclosed |
| EP-1928427-B1 | NOVEL DOSAGE FORMULATION | HOFFMANN LA ROCHE (CH) | 2009-12-30 | — | — | EP | disclosed |
| EP-1928427-A1 | NOVEL DOSAGE FORMULATION | F.HOFFMANN-LA ROCHE AG (CH) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007039420-A1 | NOVEL DOSAGE FORMULATION | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-12 | — | — | WO | disclosed |
| US-20070071813-A1 | Novel dosage formulation | AHMED HASHIM A | 2007-03-29 | — | — | US | disclosed |
| EP-1394150-A1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2004-03-03 | — | — | EP | disclosed |
| EP-1103545-B1 | 2-(3,5-Bis-trifluoromethyl-phenyl)-N-methyl-N-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide | HOFFMANN LA ROCHE (CH) | 2003-11-05 | — | — | EP | disclosed |
| US-6479483-B2 | 3,4,6-SUBSTITUTED PYRIDINE DERIVATIVES USEFUL FOR TREATING DEPRESSION AND PAIN, RESULTING FROM INFLAMMATORY CONDITIONS, SUCH AS MIGRAINE, RHEUMATOID ARTHRITIS, ASTHMA AND INFLAMATORY BOWEL DISEASE; NK1 RECEPTOR ANTAGONIST | HOFFMANN-LA ROCHE INC. | 2002-11-12 | — | — | US | disclosed |
| US-20020091265-A1 | 4-phenyl-pyridine derivatives | BOS MICHAEL (CA) | 2002-07-11 | — | — | US | disclosed |
| US-6297375-B1 | 4-phenyl-pyridine derivatives | HOFFMANN-LA ROCHE INC. | 2001-10-02 | — | — | US | disclosed |
| EP-1103545-A1 | 2-(3,5-Bis-trifluoromethyl-phenyl)-N-methyl-N-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide | F. HOFFMANN-LA ROCHE AG (CH) | 2001-05-30 | — | — | EP | disclosed |
| EP-1035115-A1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2000-09-13 | — | — | EP | 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 (4 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-20130189362-A1 | NOVEL DOSAGE FORMULATION | ABCB11, F12, CYP4A11 | TACR1 2804/4885CYP3A4 68/4885TACR3 4459/4885 |
| US-20110070303-A1 | NOVEL DOSAGE FORMULATION | ABCB11, F12, CYP4A11 | TACR1 2804/4885CYP3A4 68/4885TACR3 4459/4885 |
| US-20070071813-A1 | Novel dosage formulation | ABCB11, F12, CYP4A11 | TACR1 2804/4885CYP3A4 68/4885TACR3 4459/4885 |
| US-20020091265-A1 | 4-phenyl-pyridine derivatives | CBR1, CBR3, HCCS | TACR1 534/4885CYP3A4 908/4885TACR3 551/4885 |
“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.