Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Mechlorethamine. 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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 1.00 |
| ▸ | TP53 | P04637 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | HTT | P42858 | 1/20 | 1.00 |
| ▸ | HBB | P68871 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 0.92 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Mechlorethamine SCHEMBL3855 | 1.00 | — | — | |
| Mechlorethamine SCHEMBL10618376 | 1.00 | LMNA (1.00) | LMNATP53TSHRHTTHBB | |
| Mechlorethamine SCHEMBL9139106 | 0.96 | LMNA (0.93) | LMNATP53TSHRHTTHBB | |
| Mechlorethamine SCHEMBL11905424 | 0.96 | MAPT (1.00) | LMNATP53TSHRHTTHBB | |
| Mechlorethamine SCHEMBL3861 | 0.96 | — | — | |
| Mechlorethamine SCHEMBL2554459 | 0.92 | — | — | |
| Mechlorethamine SCHEMBL12802922 | 0.89 | MAPT (0.86) | LMNATP53TSHRHTTHBB | |
| Mechlorethamine SCHEMBL15532070 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL10506207 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL7893089 | 0.87 | LMNA (0.77) | LMNATP53TSHRHTTHBB |
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-20210095033-A1 | METHODS OF TREATING CANCER IN SUBJECTS HAVING DYSREGULATED LYMPHATIC SYSTEMS | ENSEMBLE GROUP HOLDINGS | 2021-04-01 | — | — | US | disclosed |
| US-20210070859-A1 | METHODS OF ASSESSING AND TREATING CANCER IN SUBJECTS HAVING DYSREGULATED LYMPHATIC SYSTEMS | ENSEMBLE GROUP HOLDINGS | 2021-03-11 | — | — | US | disclosed |
| US-20210024633-A1 | METHODS OF TREATING CANCER IN SUBJECTS HAVING DYSREGULATED LYMPHATIC SYSTEMS | ENSEMBLE GROUP HOLDINGS | 2021-01-28 | — | — | US | disclosed |
| US-10870702-B2 | Methods of assessing and treating cancer in subjects having dysregulated lymphatic systems | ENSEMLBLE GROUP HOLDINGS (US) | 2020-12-22 | — | — | US | disclosed |
| WO-2019191764-A1 | METHODS OF TREATING CANCER IN SUBJECTS HAVING DYSREGULATED LYMPHATIC SYSTEMS | ENSEMBLE GROUP HOLDINGS (US) | 2019-10-03 | — | — | WO | disclosed |
| EP-3515495-A1 | METHODS OF ASSESSING AND TREATING CANCER IN SUBJECTS HAVING DYSREGULATED LYMPHATIC SYSTEMS | Ensemble Group Holdings (US) | 2019-07-31 | — | — | EP | disclosed |
| US-20190040139-A1 | METHODS OF ASSESSING AND TREATING CANCER IN SUBJECTS HAVING DYSREGULATED LYMPHATIC SYSTEMS | ENSEMBLE GROUP HOLDINGS | 2019-02-07 | — | — | US | disclosed |
| WO-2018058125-A1 | METHODS OF ASSESSING AND TREATING CANCER IN SUBJECTS HAVING DYSREGULATED LYMPHATIC SYSTEMS | ENSEMBLE GROUP HOLDINGS (US) | 2018-03-29 | — | — | WO | disclosed |
| EP-1853539-A2 | HONOKIOL DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | Arbiser, Jack (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2007011415-A2 | RHOB VARIANTS AND METHODS COMPRISING THE USE THEREOF | UNIVERSITY OF SOUTH FLORIDA (US) | 2007-01-25 | — | — | WO | disclosed |
| WO-2006107451-A2 | HONOKIOL DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | UNIV EMORY (US) | 2006-10-12 | — | — | WO | disclosed |