Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D known ✓ | Q08499 | 17/20 | 0.64 |
| ▸ | PDE4B known ✓ | Q07343 | 15/20 | 0.64 |
| ▸ | PDE4A known ✓ | P27815 | 13/20 | 0.64 |
| ▸ | PDE4C known ✓ | Q08493 | 13/20 | 0.64 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL87680 | 1.00 | PDE4D (0.64) | PDE4DPDE4BPDE4APDE4CGFER | |
| SCHEMBL7533270 | 0.99 | PDE4D (0.66) | PDE4DPDE4BPDE4APDE4CGFER | |
| SCHEMBL7339568 | 0.89 | PDE4D (0.52) | PDE4DPDE4BPDE4APDE4CGFER | |
| SCHEMBL70875 | 0.87 | PDE4D (0.53) | PDE4DPDE4BPDE4APDE4C | |
| SCHEMBL70874 | 0.87 | PDE4D (0.53) | PDE4DPDE4BPDE4APDE4C | |
| SCHEMBL7363212 | 0.87 | PDE4D (0.51) | PDE4DPDE4BPDE4APDE4CGFER | |
| SCHEMBL72320 | 0.82 | PDE4D (0.53) | PDE4DPDE4BPDE4APDE4CGFER | |
| SCHEMBL71294 | 0.81 | PDE4D (0.49) | PDE4DPDE4BPDE4APDE4CGFER | |
| SCHEMBL72555 | 0.80 | PDE4D (0.73) | PDE4DPDE4BPDE4APDE4CGFER | |
| Piclamilast SCHEMBL26573 | 0.79 | PDE4D (1.00) | PDE4DPDE4BPDE4APDE4C |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100240677-A1 | Compounds as PDE IV and TNF Inhibitors | AVENTIS PHARMA LIMITED (GB) | 2010-09-23 | — | — | US | claimed |
| US-20060084809-A1 | Compounds as PDE IV and TNF-inhibitors | AVENTIS PHARMA LIMITED (GB) | 2006-04-20 | — | — | US | claimed |
| US-20040171618-A1 | Compounds as PDE IV and TNF-inhibitors | AVENTIS PHARMA LIMITED (GB) | 2004-09-02 | — | — | US | claimed |
| US-20030013713-A1 | Compounds as PDE IV and TNF-inhibitors | FENTON GARRY (GB) | 2003-01-16 | — | — | US | claimed |
| US-6472412-B1 | Compounds as PDE IV and TNF inhibitors | AVENTIS PHARMA LIMITED (GB) | 2002-10-29 | — | — | US | claimed |
| EP-0711282-B1 | COMPOUNDS AS PDE IV AND TNF INHIBITORS | AVENTIS PHARMA LTD (GB) | 2002-06-05 | — | — | EP | claimed |
| EP-0711282-A1 | COMPOUNDS AS PDE IV AND TNF INHIBITORS | RHONE-POULENC RORER LIMITED (GB) | 1996-05-15 | — | — | EP | claimed |
| WO-1995004045-A1 | COMPOUNDS AS PDE IV AND TNF INHIBITORS | RHONE-POULENC RORER LIMITED (GB) | 1995-02-09 | — | — | WO | claimed |
| US-8129537-B2 | Compounds as PDE IV and TNF inhibitors | RHONE-POULENC RORER LIMITED (GB) | 2012-03-06 | — | — | US | disclosed |
| US-20100240677-A1 | Compounds as PDE IV and TNF Inhibitors | AVENTIS PHARMA LIMITED (GB) | 2010-09-23 | — | — | US | disclosed |
| US-7652144-B2 | Compounds as PDE IV and TNF inhibitors | AVENTIS PHARMA LIMITED (GB) | 2010-01-26 | — | — | US | disclosed |
| US-20080132706-A1 | Compounds as PDE IV and TNF Inhibitors | AVENTIS PHARMA LIMITED (GB) | 2008-06-05 | — | — | US | disclosed |
| US-7045660-B2 | Compounds as PDE IV and TNF-inhibitors | AVENTIS PHARMA LIMITED (GB) | 2006-05-16 | — | — | US | disclosed |
| US-20060084809-A1 | Compounds as PDE IV and TNF-inhibitors | AVENTIS PHARMA LIMITED (GB) | 2006-04-20 | — | — | US | disclosed |
| US-20040171618-A1 | Compounds as PDE IV and TNF-inhibitors | AVENTIS PHARMA LIMITED (GB) | 2004-09-02 | — | — | US | disclosed |
| US-20030013713-A1 | Compounds as PDE IV and TNF-inhibitors | FENTON GARRY (GB) | 2003-01-16 | — | — | US | disclosed |
| US-6472412-B1 | Compounds as PDE IV and TNF inhibitors | AVENTIS PHARMA LIMITED (GB) | 2002-10-29 | — | — | US | disclosed |
| EP-0711282-B1 | COMPOUNDS AS PDE IV AND TNF INHIBITORS | AVENTIS PHARMA LTD (GB) | 2002-06-05 | — | — | EP | disclosed |
| EP-0711282-A1 | COMPOUNDS AS PDE IV AND TNF INHIBITORS | RHONE-POULENC RORER LIMITED (GB) | 1996-05-15 | — | — | EP | disclosed |
| WO-1995004045-A1 | COMPOUNDS AS PDE IV AND TNF INHIBITORS | RHONE-POULENC RORER LIMITED (GB) | 1995-02-09 | — | — | WO | 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 (5 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-20060084809-A1 | Compounds as PDE IV and TNF-inhibitors | PDE4A, PDE4B, PDE4C | PDE4D 6/4885PDE4B 2/4885PDE4A 1/4885 |
| US-20030013713-A1 | Compounds as PDE IV and TNF-inhibitors | PDE4A, PDE4B, PDE7A | PDE4D 7/4885PDE4B 2/4885PDE4A 1/4885 |
| US-20100240677-A1 | Compounds as PDE IV and TNF Inhibitors | PDE4A, PDE4B, PDE7A | PDE4D 7/4885PDE4B 2/4885PDE4A 1/4885 |
| US-20080132706-A1 | Compounds as PDE IV and TNF Inhibitors | PDE4A, PDE4B, PDE7A | PDE4D 7/4885PDE4B 2/4885PDE4A 1/4885 |
| US-20040171618-A1 | Compounds as PDE IV and TNF-inhibitors | PDE4A, PDE4B, PDE7A | PDE4D 7/4885PDE4B 2/4885PDE4A 1/4885 |
“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.