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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.98 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.98 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.98 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.80 |
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 | |
|---|---|---|---|---|
| SCHEMBL465051 | 0.99 | S1PR1 (1.00) | S1PR1S1PR5S1PR4S1PR3 | |
| Hydrochloric Acid SCHEMBL465151 | 0.98 | S1PR1 (0.98) | S1PR1S1PR5S1PR4S1PR3 | |
| SCHEMBL1869738 | 0.94 | S1PR1 (1.00) | S1PR1S1PR5S1PR4S1PR3 | |
| SCHEMBL675991 | 0.93 | S1PR1 (1.00) | S1PR1S1PR5S1PR4S1PR3 | |
| Potassium Ion SCHEMBL465017 | 0.92 | S1PR1 (0.87) | S1PR1S1PR5S1PR4S1PR3 | |
| SCHEMBL465156 | 0.92 | S1PR1 (0.87) | S1PR1S1PR5S1PR4S1PR3 | |
| SCHEMBL465008 | 0.92 | S1PR1 (0.87) | S1PR1S1PR5S1PR4S1PR3 | |
| SCHEMBL30751732 | 0.91 | S1PR1 (0.85) | S1PR1S1PR5S1PR4S1PR3 | |
| Water SCHEMBL465393 | 0.91 | S1PR1 (0.83) | S1PR1S1PR5S1PR4S1PR3 | |
| SCHEMBL1873136 | 0.90 | S1PR1 (0.89) | S1PR1S1PR5S1PR4S1PR3 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1826197-B1 | AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO (JP) | 2012-01-18 | — | — | EP | claimed |
| EP-2371811-A2 | Azetidinecarboxylic acid derivative and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-10-05 | — | — | EP | claimed |
| US-7906549-B2 | Aminocarboxylic acid derivative and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-03-15 | — | — | US | claimed |
| EP-2371811-B1 | Azetidinecarboxylic acid derivative and medicinal use thereof | ONO PHARMACEUTICAL CO (JP) | 2014-10-08 | — | — | EP | disclosed |
| US-20140023636-A1 | AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-01-23 | — | — | US | disclosed |
| US-8575134-B2 | Aminocarboxylic acid derivative and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-11-05 | — | — | US | disclosed |
| EP-1826197-B1 | AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO (JP) | 2012-01-18 | — | — | EP | disclosed |
| EP-2371811-A2 | Azetidinecarboxylic acid derivative and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-10-05 | — | — | EP | disclosed |
| US-20110105432-A1 | AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-05-05 | — | — | US | disclosed |
| US-7906549-B2 | Aminocarboxylic acid derivative and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-03-15 | — | — | US | disclosed |
| US-20090275554-A1 | AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2009-11-05 | — | — | US | disclosed |
| EP-1826197-A1 | AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-08-29 | — | — | 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 (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-20110105432-A1 | AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF | EDNRA, EDNRB, S1PR1 | S1PR1 3/4885S1PR5 4/4885S1PR4 23/4885 |
| US-20140023636-A1 | AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF | EDNRA, EDNRB, S1PR1 | S1PR1 3/4885S1PR5 4/4885S1PR4 23/4885 |
| US-20090275554-A1 | AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF | EDNRA, EDNRB, S1PR1 | S1PR1 3/4885S1PR5 4/4885S1PR4 23/4885 |
“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.