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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 16/20 | 0.98 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL354131 | 0.99 | DHODH (1.00) | DHODHLMNAGAACLCN2MEN1 | |
| SCHEMBL356028 | 0.99 | DHODH (1.00) | DHODHLMNAGAACLCN2MEN1 | |
| Tromethamine SCHEMBL16741990 | 0.91 | DHODH (0.85) | DHODHLMNAGAAMEN1KMT2A | |
| SCHEMBL729556 | 0.87 | DHODH (0.81) | DHODHLMNAGAAMEN1NPC1 | |
| SCHEMBL728038 | 0.86 | DHODH (1.00) | DHODHLMNAGAACLCN2MEN1 | |
| SCHEMBL729595 | 0.84 | DHODH (1.00) | DHODHLMNAGAA | |
| SCHEMBL3725645 | 0.83 | DHODH (0.72) | DHODHLMNAGAACLCN2MEN1 | |
| SCHEMBL729195 | 0.80 | DHODH (0.78) | DHODHMEN1NPC1MAPTRAB9A | |
| SCHEMBL729207 | 0.80 | DHODH (1.00) | DHODHLMNAGAACLCN2MEN1 | |
| SCHEMBL12082596 | 0.76 | LMNA (0.78) | DHODHLMNAGAACLCN2MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2406225-B1 | ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | ALMIRALL SA (ES) | 2013-06-26 | — | — | EP | disclosed |
| US-20120014918-A1 | ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | ALMIRALL, S.A. (ES) | 2012-01-19 | — | — | US | disclosed |
| EP-2406225-A1 | ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | Almirall S.A. (ES) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010102826-A1 | ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | ALMIRALL, S.A. (ES) | 2010-09-16 | — | — | WO | disclosed |
| EP-2228367-A1 | Addition salts of amines containing hydroxyl and/or carboxylic groups with amino nicotinic acid derivatives as DHODH inhibitors | Almirall, S.A. (ES) | 2010-09-15 | — | — | EP | 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 (1 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-20120014918-A1 | ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | DHODH, DAO, ADH1B | MEN1 3186/4885DHODH 1/4885LMNA 3480/4885 |
“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.