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 | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 7/20 | 0.47 |
| ▸ | TACR1 known ✓ | P25103 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | CPT2 | P23786 | 1/20 | 0.53 |
| ▸ | CPT1A | P50416 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7282427 | 0.99 | NPC1 (0.56) | NPC1RAB9ACPT2CPT1AKMT2A | |
| SCHEMBL7294666 | 0.92 | NPC1 (0.53) | NPC1RAB9ACPT2CPT1AKMT2A | |
| SCHEMBL7291237 | 0.92 | NPC1 (0.53) | NPC1RAB9ACPT2CPT1AKMT2A | |
| SCHEMBL9485197 | 0.91 | ACE (0.57) | NPC1RAB9ACPT2CPT1AKMT2A | |
| SCHEMBL7281662 | 0.89 | CCR1 (0.54) | RAB9APKMHTTSMN1; SMN2 | |
| SCHEMBL7290318 | 0.88 | CPT2 (0.51) | NPC1RAB9ACPT2CPT1AKMT2A | |
| SCHEMBL9182343 | 0.88 | CPT2 (0.51) | NPC1RAB9ACPT2CPT1AKMT2A | |
| Water SCHEMBL7283171 | 0.88 | NPC1 (0.51) | NPC1RAB9ACPT2CPT1AKMT2A | |
| SCHEMBL7283694 | 0.88 | NPC1 (0.53) | NPC1RAB9ACPT2CPT1AKMT2A | |
| SCHEMBL7293750 | 0.87 | TACR1 (0.46) | CPT2CPT1ATACR1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0537802-B1 | N-acylpyrrolidines, process for their preparation and their use for prevention and/or treatment of amnesia | ONO PHARMACEUTICAL CO (JP) | 1999-08-25 | — | — | EP | disclosed |
| US-5545657-A | 1-ALKYLOYLPYRROLIDIN-2-YLOXOALKANOIC ACIDS AND DERIVATIVES; ANTIAMNESIA AGENTS; INHIBITORS OF PROLYL ENDOPEPTIDASE; SUPPRESSION OF NEUROTRANSMITTER METABOLISM | ONO PHARMACEUTICAL CO., LTD. (JP) | 1996-08-13 | — | — | US | disclosed |
| US-5411974-A | Thiazoline derivatives, treatment of amnesia | ONO PHARMACEUTICAL CO., LTD. (JP) | 1995-05-02 | — | — | US | disclosed |
| US-5401760-A | Thiazoline derivative for treating amnesia | ONO PHARMACEUTICAL CO., LTD. (JP) | 1995-03-28 | — | — | US | disclosed |
| EP-0345428-B1 | Anti-amnesic pyrrolidine derivatives | ONO PHARMACEUTICAL CO (JP) | 1995-01-18 | — | — | EP | disclosed |
| US-5212191-A | Thiazoline derivatives for treatment of amnesia | ONO PHARMACEUTICAL CO., LTD. (JP) | 1993-05-18 | — | — | US | disclosed |
| EP-0537802-A2 | N-acylpyrrolidines and N-acylthiazolidines, process for their preparation and their use for prevention and/or treatment of amnesia | ONO PHARMACEUTICAL CO., LTD. (JP) | 1993-04-21 | — | — | EP | disclosed |
| US-5053414-A | Thiazolidine derivatives, enzyme inhibitors; amnesia | ONO PHARMACEUTICAL CO., LTD. (JP) | 1991-10-01 | — | — | US | disclosed |
| EP-0345428-A1 | Anti-amnesic pyrrolidine derivatives | ONO PHARMACEUTICAL CO., LTD. (JP) | 1989-12-13 | — | — | EP | disclosed |