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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | CASP3 | P42574 | 6/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | CASP7 | P55210 | 1/20 | 0.60 |
| ▸ | CASP9 | P55211 | 1/20 | 0.60 |
| ▸ | TGM2 | P21980 | 5/20 | 0.51 |
| ▸ | CES1 | P23141 | 3/20 | 0.51 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL454612 | 0.98 | CA12 (0.67) | CA12CA1CA2CA9CASP3 | |
| SCHEMBL458636 | 0.96 | CA12 (0.69) | CA12CA1CA2CA9CASP3 | |
| Hydrochloric Acid SCHEMBL5184450 | 0.95 | CA12 (0.67) | CA12CA1CA2CA9CASP3 | |
| SCHEMBL5858448 | 0.95 | CA12 (0.67) | CA12CA1CA2CA9CASP3 | |
| Indigotindisulfonate SCHEMBL3652418 | 0.84 | CA12 (0.49) | CA12CA1CA2CA9CASP3 | |
| Indigotindisulfonate SCHEMBL3680504 | 0.84 | CA12 (0.49) | CA12CA1CA2CA9CASP3 | |
| Indigotindisulfonate SCHEMBL186296 | 0.84 | CA12 (0.49) | CA12CA1CA2CA9CASP3 | |
| Indigotindisulfonate SCHEMBL3960977 | 0.83 | CA12 (0.47) | CA12CA1CA2CA9CASP3 | |
| Indigotindisulfonate SCHEMBL5455215 | 0.82 | CA12 (0.50) | CA12CA1CA2CA9CASP3 | |
| Indigotindisulfonate SCHEMBL2732840 | 0.82 | CA12 (0.50) | CA12CA1CA2CA9CASP3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2768822-B1 | DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS | CHIESI FARM SPA (IT) | 2017-12-06 | — | — | EP | disclosed |
| US-9024027-B2 | Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors | CHIESI FARMACEUTICI S.P.A. (IT) | 2015-05-05 | — | — | US | disclosed |
| EP-2768822-A2 | DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS | Chiesi Farmaceutici S.p.A. (IT) | 2014-08-27 | — | — | EP | disclosed |
| US-20130102576-A1 | DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS | CHIESI FARMACEUTICI S.P.A. (IT) | 2013-04-25 | — | — | US | disclosed |
| WO-2013057013-A2 | DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS | CHIESI FARMACEUTICI S.P.A. (IT) | 2013-04-25 | — | — | WO | disclosed |
| US-20030045725-A1 | Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2003-03-06 | — | — | 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 (2 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-20130102576-A1 | DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS | PDE4A, PDE3A, PDE4B | CA12 4495/4885CA1 3935/4885CA2 1813/4885 |
| US-20030045725-A1 | Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation | AOX1, ALDH5A1, AOC2 | CA12 884/4885CA1 1255/4885CA2 771/4885 |
“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.