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 | |
|---|---|---|---|---|
| ▸ | CHRNB1 known ✓ | P11230 | 2/20 | 0.42 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.42 |
| ▸ | CHRNA1 known ✓ | P02708 | 1/20 | 0.42 |
| ▸ | CHRNG known ✓ | P07510 | 1/20 | 0.42 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.42 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.42 |
| ▸ | CHRNE known ✓ | Q04844 | 1/20 | 0.42 |
| ▸ | CHRND known ✓ | Q07001 | 1/20 | 0.42 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.42 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16787379 | 0.82 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL156222 | 0.80 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL2682571 | 0.79 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL1533666 | 0.79 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL9385174 | 0.78 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL11273849 | 0.78 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL11276235 | 0.77 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL11276237 | 0.77 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL9385216 | 0.77 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL524484 | 0.76 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110281951-A1 | Compositions and methods for treating amyloidosis | BHI LIMITED PARTNERSHIP (CA) | 2011-11-17 | — | — | US | disclosed |
| EP-1276483-B1 | COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES | BELLUS HEALTH INT LTD (CH) | 2009-09-02 | — | — | EP | disclosed |
| US-20090099100-A1 | Compositions and methods for treating amyloidosis | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2009-04-16 | — | — | US | disclosed |
| US-20040198832-A1 | Compositions and methods for treating amyloidosis | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2004-10-07 | — | — | US | disclosed |
| EP-1276483-A2 | COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2003-01-22 | — | — | EP | disclosed |
| WO-2000064420-A2 | COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2000-11-02 | — | — | 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 (3 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-20090099100-A1 | Compositions and methods for treating amyloidosis | TTR, SNCA, ARSA | CHRNB1 2180/4885HTR3E 3993/4885HTR3B 4294/4885 |
| US-20110281951-A1 | Compositions and methods for treating amyloidosis | TTR, SNCA, ARSA | CHRNB1 2180/4885HTR3E 3993/4885HTR3B 4294/4885 |
| US-20040198832-A1 | Compositions and methods for treating amyloidosis | TTR, APP, CRYAA | CHRNB1 1363/4885HTR3E 4118/4885HTR3B 4334/4885 |
“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.