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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.47 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 7/20 | 0.73 |
| ▸ | CTSS | P25774 | 5/20 | 0.73 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.48 |
| ▸ | GRN | P28799 | 1/20 | 0.47 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | CTSH | P09668 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.44 |
| ▸ | REN | P00797 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL15646368 | 1.00 | CTSK (0.73) | CTSKCTSSAAK1HDAC4HDAC1 | |
| Water SCHEMBL18614282 | 1.00 | CTSK (0.73) | CTSKCTSSAAK1HDAC4HDAC1 | |
| SCHEMBL16945 | 0.99 | CTSK (0.70) | CTSKCTSSAAK1HDAC4HDAC1 | |
| SCHEMBL21427220 | 0.99 | CTSK (0.70) | CTSKCTSSAAK1HDAC4HDAC1 | |
| SCHEMBL9742291 | 0.99 | CTSK (0.70) | CTSKCTSSAAK1HDAC4HDAC1 | |
| SCHEMBL482062 | 0.99 | CTSK (0.70) | CTSKCTSSAAK1HDAC4HDAC1 | |
| SCHEMBL9742302 | 0.99 | CTSK (0.70) | CTSKCTSSAAK1HDAC4HDAC1 | |
| SCHEMBL21427213 | 0.99 | CTSK (0.70) | CTSKCTSSAAK1HDAC4HDAC1 | |
| SCHEMBL8283416 | 0.99 | CTSK (0.70) | CTSKCTSSAAK1HDAC4HDAC1 | |
| SCHEMBL9556128 | 0.99 | CTSK (0.70) | CTSKCTSSAAK1HDAC4HDAC1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8133864-B2 | PAR-2 agonist | KOWA COMPANY, LTD. (JP) | 2012-03-13 | — | — | US | disclosed |
| EP-1864994-B1 | PAR-2 AGONIST | KOWA CO (JP) | 2011-10-26 | — | — | EP | disclosed |
| US-7910556-B2 | PAR-2 agonist | KOWA COMPANY, LTD. (JP) | 2011-03-22 | — | — | US | disclosed |
| US-20090215703-A1 | PAR-2 Agonist | KOWA COMPANY, LTD. (JP) | 2009-08-27 | — | — | US | disclosed |
| US-20090131330-A1 | PAR-2 AGONIST | KOWA CO., LTD. (JP) | 2009-05-21 | — | — | US | disclosed |
| EP-1864994-A1 | PAR-2 AGONIST | Kowa Company, Ltd. (JP) | 2007-12-12 | — | — | EP | disclosed |
| EP-1845104-A1 | PAR-2 AGONIST | Kowa Company. Ltd. (JP) | 2007-10-17 | — | — | 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 (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-20090215703-A1 | PAR-2 Agonist | FPR2, F2RL1, FPR3 | HDAC4 1751/4885HDAC1 2104/4885HDAC6 2705/4885 |
| US-20090131330-A1 | PAR-2 AGONIST | F2RL1, CNR2, FFAR2 | HDAC4 1639/4885HDAC1 1296/4885HDAC6 3247/4885 |
“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.