Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acefylline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.97 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.71 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Acefylline SCHEMBL308514 | 0.98 | ADORA2B (1.00) | ADORA2BSMN1; SMN2LMNAMEN1KMT2A | |
| Acefylline SCHEMBL18191994 | 0.98 | ADORA2B (1.00) | ADORA2BSMN1; SMN2LMNAMEN1KMT2A | |
| Acefylline SCHEMBL1173152 | 0.93 | ADORA2B (0.89) | ADORA2BSMN1; SMN2LMNAMEN1KMT2A | |
| Acefylline SCHEMBL356114 | 0.91 | ADORA2B (0.85) | ADORA2BSMN1; SMN2LMNAMEN1KMT2A | |
| Acefylline SCHEMBL5493561 | 0.91 | ADORA2B (0.85) | ADORA2BSMN1; SMN2LMNAMEN1KMT2A | |
| Acefylline SCHEMBL17204841 | 0.90 | ADORA2B (0.84) | ADORA2BSMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL17163939 | 0.87 | ADORA2B (0.78) | ADORA2BSMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL11531219 | 0.87 | ADORA2B (0.78) | ADORA2BSMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL9296212 | 0.85 | ADORA2B (0.76) | ADORA2BSMN1; SMN2LMNAKMT2AMAPT | |
| SCHEMBL5468564 | 0.85 | ADORA2B (0.76) | ADORA2BSMN1; SMN2LMNAMEN1KMT2A |
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-4652568-A | Theophylline-7-acetic acid ester of d,l-trans-sobrerol having mucosecretolytic-fluidizing and antibronchospastic activity, a process for its preparation and pharmaceutical compositions thereof | CAMILLO CORVI S.P.A. (IT) | 1987-03-24 | — | — | US | claimed |
| US-5958933-A | HAVING A GUANIDINO GROUP ALIPHATICALLY LINKED TO A XANTHINE GROUP, ADRENERGIC STIMULANTS | NAFTCHI N ERIC (US) | 1999-09-28 | — | — | US | disclosed |
| EP-0413751-A4 | NEUROLOGICALLY ACTIVE COMPOUNDS | — | 1992-07-22 | — | — | EP | disclosed |
| EP-0413751-A1 | NEUROLOGICALLY ACTIVE COMPOUNDS | NAFTCHI, N., Eric (US) | 1991-02-27 | — | — | EP | disclosed |
| WO-1989010744-A1 | NEUROLOGICALLY ACTIVE COMPOUNDS | NAFTCHI N ERIC (US) | 1989-11-16 | — | — | WO | disclosed |
| EP-0157284-B1 | THEOPHYLLINE-7-ACETIC ACID ESTER OF D,L-TRANS-SOBREROL HAVING MUCOSECRETOLYTIC-FLUIDIZING AND ANTIBRONCHOSPASTIC ACTIVITY, A PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | CAMILLO CORVI S.p.A. (IT) | 1989-08-09 | — | — | EP | disclosed |
| US-4652568-A | Theophylline-7-acetic acid ester of d,l-trans-sobrerol having mucosecretolytic-fluidizing and antibronchospastic activity, a process for its preparation and pharmaceutical compositions thereof | CAMILLO CORVI S.P.A. (IT) | 1987-03-24 | — | — | US | disclosed |
| US-4652568-A | Theophylline-7-acetic acid ester of d,l-trans-sobrerol having mucosecretolytic-fluidizing and antibronchospastic activity, a process for its preparation and pharmaceutical compositions thereof | CAMILLO CORVI S.P.A. (IT) | 1987-03-24 | — | — | US | disclosed |
| US-4584372-A | Compound 3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro-(4,5)decan-2-one and a process of preparation thereof | VENERO AURELIO O (ES) | 1986-04-22 | — | — | US | disclosed |
| EP-0157284-A2 | Theophylline-7-acetic acid ester of d,l-trans-sobrerol having mucosecretolytic-fluidizing and antibronchospastic activity, a process for its preparation and pharmaceutical compositions thereof | CAMILLO CORVI S.p.A. (IT) | 1985-10-09 | — | — | EP | disclosed |
| EP-0157284-A2 | Theophylline-7-acetic acid ester of d,l-trans-sobrerol having mucosecretolytic-fluidizing and antibronchospastic activity, a process for its preparation and pharmaceutical compositions thereof | CAMILLO CORVI S.p.A. (IT) | 1985-10-09 | — | — | EP | disclosed |