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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 known ✓ | P05106 | 2/20 | 0.57 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.58 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.58 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.58 |
| ▸ | ITGAV | P06756 | 2/20 | 0.57 |
| ▸ | CTSL | P07711 | 2/20 | 0.54 |
| ▸ | CTSS | P25774 | 1/20 | 0.54 |
| ▸ | TGM2 | P21980 | 9/20 | 0.53 |
| ▸ | CPB1 | P15086 | 1/20 | 0.52 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.52 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
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 SCHEMBL7266301 | 1.00 | FOLH1 (0.58) | FOLH1SIRT2SIRT1ITGB3ITGAV | |
| SCHEMBL631840 | 0.99 | FOLH1 (0.59) | FOLH1SIRT2SIRT1ITGB3ITGAV | |
| SCHEMBL5145708 | 0.99 | FOLH1 (0.59) | FOLH1SIRT2SIRT1ITGB3ITGAV | |
| SCHEMBL6768020 | 0.99 | FOLH1 (0.59) | FOLH1SIRT2SIRT1ITGB3ITGAV | |
| Hydrochloric Acid SCHEMBL333889 | 0.98 | FOLH1 (0.58) | FOLH1SIRT2SIRT1ITGB3ITGAV | |
| Hydrochloric Acid SCHEMBL29401494 | 0.98 | FOLH1 (0.58) | FOLH1SIRT2SIRT1ITGB3ITGAV | |
| Hydrochloric Acid SCHEMBL333888 | 0.98 | FOLH1 (0.58) | FOLH1SIRT2SIRT1ITGB3ITGAV | |
| Bromide SCHEMBL9221277 | 0.98 | FOLH1 (0.58) | FOLH1SIRT2SIRT1ITGB3ITGAV | |
| SCHEMBL11411256 | 0.94 | CTSL (0.56) | FOLH1SIRT2SIRT1ITGB3ITGAV | |
| SCHEMBL9500591 | 0.92 | SIRT2 (0.54) | FOLH1SIRT2SIRT1ITGB3ITGAV |
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 |
|---|---|---|---|---|---|---|---|
| EP-0185390-B1 | TRIPEPTIDYL-ARGININALDEHYDE, PROCESS FOR ITS PREPARATION AND MEDICAMENTS THEREOF, AS WELL AS N-(MONOALKYL) AND N,N-DI-(ALKYL)-XXX-L-PROLINE DIPEPTIDE | RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) | 1991-10-02 | — | — | EP | disclosed |
| EP-0185390-A2 | Tripeptidyl-argininaldehyde, process for its preparation and medicaments thereof, as well as N-(monoalkyl) and N,N-di-(alkyl)-Xxx-L-proline dipeptide | RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) | 1986-06-25 | — | — | EP | disclosed |