Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Buquiterine. 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 | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.63 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.61 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.71 |
| ▸ | TSHR | P16473 | 8/20 | 0.71 |
| ▸ | HPGD | P15428 | 7/20 | 0.71 |
| ▸ | LMNA | P02545 | 4/20 | 0.71 |
| ▸ | MAPT | P10636 | 4/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 8/20 | 0.69 |
| ▸ | POLB | P06746 | 4/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.66 |
| ▸ | USP2 | O75604 | 3/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.66 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Buquiterine SCHEMBL29387250 | 0.99 | KDM4E (0.72) | KDM4EHSD17B10ALDH1A1TSHRHPGD | |
| Buquiterine SCHEMBL2109704 | 0.99 | KDM4E (0.72) | KDM4EHSD17B10ALDH1A1TSHRHPGD | |
| Hydrochloric Acid SCHEMBL9666837 | 0.81 | KDM4E (0.72) | KDM4EHSD17B10ALDH1A1TSHRHPGD | |
| Hydrochloric Acid SCHEMBL10921940 | 0.81 | KMT2A (0.73) | KDM4EHSD17B10ALDH1A1TSHRHPGD | |
| SCHEMBL8140371 | 0.80 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1TSHRHPGD | |
| SCHEMBL8147997 | 0.80 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1TSHRHPGD | |
| SCHEMBL31619825 | 0.80 | KMT2A (0.76) | KDM4EHSD17B10ALDH1A1TSHRHPGD | |
| Hydrochloric Acid SCHEMBL7335310 | 0.80 | KMT2A (0.71) | KDM4EHSD17B10ALDH1A1TSHRHPGD | |
| Hydrochloric Acid SCHEMBL11070849 | 0.80 | KDM4E (0.50) | KDM4EHSD17B10ALDH1A1TSHRHPGD | |
| SCHEMBL14137941 | 0.79 | ALDH1A1 (0.68) | KDM4EHSD17B10ALDH1A1TSHRHPGD |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0370379-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING LABDANE DITERPENOID DERIVATIVES AND PYRIMIDO(6,1-A) ISOQUINOLIN-4-ONE DERIVATIVES AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-09-09 | — | — | EP | claimed |
| US-5141936-A | Alepecia therapy | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-08-25 | — | — | US | claimed |
| EP-0370379-A1 | Pharmaceutical compositions comprising labdane diterpenoid derivatives and pyrimido(6,1-a) isoquinolin-4-one derivatives and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-05-30 | — | — | EP | claimed |
| EP-0342617-A2 | Use of trequinsin and cosmetic preparations based on same | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-11-23 | — | — | EP | claimed |
| US-4482556-A | HYPOTENSIVE AGENTS, BRONCHODILATORS, ANTIALLERGENS | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-11-13 | — | — | US | claimed |
| JP-2017119-A | — | — | None | — | — | JP | disclosed |
| EP-0370379-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING LABDANE DITERPENOID DERIVATIVES AND PYRIMIDO(6,1-A) ISOQUINOLIN-4-ONE DERIVATIVES AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-09-09 | — | — | EP | disclosed |
| US-5141942-A | Topical administration for promoting hair growth | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-08-25 | — | — | US | disclosed |
| US-5141936-A | Alepecia therapy | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-08-25 | — | — | US | disclosed |
| EP-0370379-A1 | Pharmaceutical compositions comprising labdane diterpenoid derivatives and pyrimido(6,1-a) isoquinolin-4-one derivatives and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-05-30 | — | — | EP | disclosed |
| JP-H0217119-A | PYRIMIDO-(6,1-A)-ISOQUINOLIN-4-ONE DERIVATIVE | HOECHST AG | 1990-01-22 | — | — | JP | disclosed |
| EP-0010759-B1 | PYRIMIDO (6,1-A) ISOQUINOLIN-4-ONES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION IN MEDICAMENTS; INTERMEDIATES AND THEIR PREPARATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-07-30 | — | — | EP | disclosed |
| US-4598148-A | HYPOTENSIVE AGENTS, BRONCHODIALTORS ANTIALLERGENS | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-07-01 | — | — | US | disclosed |
| US-4482556-A | HYPOTENSIVE AGENTS, BRONCHODILATORS, ANTIALLERGENS | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-11-13 | — | — | US | disclosed |
| US-4400506-A | CYCLIZATION OF A BARBITURIC ACID USING AN ACID CATALYST | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-08-23 | — | — | US | disclosed |
| EP-0010759-A2 | Pyrimido (6,1-a) isoquinolin-4-ones, process for their preparation and their application in medicaments; intermediates and their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-05-14 | — | — | EP | disclosed |