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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 5/20 | 0.39 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.39 |
| ▸ | DRD4 known ✓ | P21917 | 3/20 | 0.39 |
| ▸ | DRD3 known ✓ | P35462 | 3/20 | 0.39 |
| ▸ | ADRB1 known ✓ | P08588 | 4/20 | 0.38 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1558720 | 0.87 | MAPT (0.50) | ADRB2DRD2DRD1DRD4DRD3 | |
| SCHEMBL9909633 | 0.85 | SMN1; SMN2 (0.44) | ADRB2DRD2DRD1DRD4DRD3 | |
| SCHEMBL632293 | 0.85 | ADRB1 (0.40) | ADRB2DRD2DRD1DRD4DRD3 | |
| SCHEMBL1559916 | 0.85 | ADRB2 (0.39) | ADRB2DRD2DRD1DRD4DRD3 | |
| SCHEMBL11032765 | 0.85 | FOLH1 (0.39) | ADRB2DRD2DRD1DRD4DRD3 | |
| SCHEMBL10982611 | 0.81 | BRD4 (0.37) | ADRB2DRD2DRD1DRD4DRD3 | |
| SCHEMBL13437541 | 0.80 | BRD4 (0.35) | ADRB2DRD2DRD1DRD4DRD3 | |
| SCHEMBL632130 | 0.80 | ADRB2 (0.37) | ADRB2DRD2DRD1DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL11081263 | 0.77 | ADRB1 (0.37) | ADRB2DRD2DRD1DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL11216398 | 0.77 | ADRB2 (0.35) | ADRB2DRD2DRD1DRD4DRD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050137242-A1 | Betamimetics having a long-lasting activity, processes for preparing them, and their use as medicaments | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-06-23 | — | — | US | disclosed |
| US-20020022625-A1 | Betamimetics having a long-lasting activity, processes for preparing them, and their use as medicaments | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-02-21 | — | — | 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-20050137242-A1 | Betamimetics having a long-lasting activity, processes for preparing them, and their use as medicaments | CHRM1, ADRB1, ADRB3 | ADRB2 4/4885DRD2 63/4885DRD4 46/4885 |
| US-20020022625-A1 | Betamimetics having a long-lasting activity, processes for preparing them, and their use as medicaments | ADRB2, ADRB3, ADRB1 | ADRB2 1/4885DRD2 96/4885DRD4 71/4885 |
“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.