Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Propylhexedrine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 3/20 | 0.34 |
| ▸ | CTSB | P07858 | 3/20 | 0.34 |
| ▸ | CTSH | P09668 | 2/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Levopropylhexedrine SCHEMBL20780004 | 0.98 | CTSK (0.42) | CTSKMEN1KMT2ASIGMAR1CTSL | |
| Propylhexedrine SCHEMBL28537 | 0.98 | CTSK (0.42) | CTSKMEN1KMT2ASIGMAR1CTSL | |
| Cyclopentamine SCHEMBL317336 | 0.98 | CTSK (0.39) | CTSKMEN1KMT2ASIGMAR1CTSL | |
| Levopropylhexedrine SCHEMBL161851 | 0.98 | CTSK (0.42) | CTSKMEN1KMT2ASIGMAR1CTSL | |
| Propylhexedrine SCHEMBL28890426 | 0.95 | CTSK (0.41) | CTSKMEN1KMT2ASIGMAR1CTSL | |
| Cyclopentamine SCHEMBL13479599 | 0.95 | CTSK (0.40) | CTSKMEN1KMT2ASIGMAR1CTSL | |
| Cyclopentamine SCHEMBL249708 | 0.95 | CTSK (0.40) | CTSKMEN1KMT2ASIGMAR1CTSL | |
| SCHEMBL27308544 | 0.91 | — | — | |
| SCHEMBL22627190 | 0.79 | CTSK (0.32) | CTSK | |
| SCHEMBL23241391 | 0.77 | OPRK1 (0.31) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7456318-B2 | Process for preparing benzylated amines | MALLINCKRODT INC. (US) | 2008-11-25 | — | — | US | claimed |
| US-20080188685-A1 | Process for Preparing Benzylated Amines | MALLINCKRODT INC. (US) | 2008-08-07 | — | — | US | claimed |
| CN-101098848-A | Process for preparing benzylated amines | MALLINCKRODT INC (US) | 2008-01-02 | — | — | CN | claimed |
| EP-1838658-A1 | PROCESS FOR PREPARING BENZYLATED AMINES | MALLINCKRODT, INC. (US) | 2007-10-03 | — | — | EP | claimed |
| WO-2006073547-A1 | PROCESS FOR PREPARING BENZYLATED AMINES | MALLINCKRODT INC. (US) | 2006-07-13 | — | — | WO | claimed |
| US-6375461-B1 | Gingival retraction cords incorporating propylhexedrine | ULTRADENT PRODUCTS, INC. | 2002-04-23 | — | — | US | claimed |
| EP-1188419-A2 | Gingival retraction cords | Ultradent Products, Inc. (US) | 2002-03-20 | — | — | EP | claimed |
| US-6309221-B1 | A KIT INCLUDING PROPYLHEXEDRINE AND AT LEAST ONE IN-SITU POLYMERIZABLE MONOMER (PREFERABLY A PHOPHOALKYL ESTER OF METHACRYLIC ACID) CAPABLE OF ADHERING TO DENTIN AND BECOMING A BARRIER TO MICROORGANISMS | ULTRADENT PRODUCTS, INC. | 2001-10-30 | — | — | US | claimed |
| US-7456318-B2 | Process for preparing benzylated amines | MALLINCKRODT INC. (US) | 2008-11-25 | — | — | US | disclosed |
| US-20080188685-A1 | Process for Preparing Benzylated Amines | MALLINCKRODT INC. (US) | 2008-08-07 | — | — | US | disclosed |
| CN-101098848-A | Process for preparing benzylated amines | MALLINCKRODT INC (US) | 2008-01-02 | — | — | CN | disclosed |
| EP-1838658-A1 | PROCESS FOR PREPARING BENZYLATED AMINES | MALLINCKRODT, INC. (US) | 2007-10-03 | — | — | EP | disclosed |
| US-20070129444-A1 | Novel weight reduction composition and uses thereof | MALLINCKRODT INC. | 2007-06-07 | — | — | US | disclosed |
| WO-2006073547-A1 | PROCESS FOR PREPARING BENZYLATED AMINES | MALLINCKRODT INC. (US) | 2006-07-13 | — | — | WO | disclosed |
| EP-1188419-A2 | Gingival retraction cords | Ultradent Products, Inc. (US) | 2002-03-20 | — | — | EP | disclosed |
| US-6309221-B1 | A KIT INCLUDING PROPYLHEXEDRINE AND AT LEAST ONE IN-SITU POLYMERIZABLE MONOMER (PREFERABLY A PHOPHOALKYL ESTER OF METHACRYLIC ACID) CAPABLE OF ADHERING TO DENTIN AND BECOMING A BARRIER TO MICROORGANISMS | ULTRADENT PRODUCTS, INC. | 2001-10-30 | — | — | US | disclosed |
| US-6309221-B1 | A KIT INCLUDING PROPYLHEXEDRINE AND AT LEAST ONE IN-SITU POLYMERIZABLE MONOMER (PREFERABLY A PHOPHOALKYL ESTER OF METHACRYLIC ACID) CAPABLE OF ADHERING TO DENTIN AND BECOMING A BARRIER TO MICROORGANISMS | ULTRADENT PRODUCTS, INC. | 2001-10-30 | — | — | US | disclosed |
| US-5786384-A | Agents for the treatment and protection of the skin | BEIERSDORF AG (DE) | 1998-07-28 | — | — | US | disclosed |
| US-5652261-A | ADMINISTERING VITAMIN E MIXTURE; SUNSCREEN, ANTIINFLAMMATORY, ANTIAGING, AND WOUND HEALING AGENTS | BEIERSDORF AG (DE) | 1997-07-29 | — | — | US | disclosed |
| US-5541220-A | SKIN DISORDERS, WOUND HEALING AGENTS, ANTIINFLAMMATORY AGENTS AND RADIATION RESISTANCE | BEIERSDORF AG (DE) | 1996-07-30 | — | — | US | 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-20070129444-A1 | Novel weight reduction composition and uses thereof | HCRTR1, GPR119, HCRTR2 | SIGMAR1 915/4885CTSK 2102/4885MEN1 1985/4885 |
“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.