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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.41 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.67 |
| ▸ | FNTB | P49356 | 1/20 | 0.67 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.53 |
| ▸ | CNR1 | P21554 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.47 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4156125 | 0.89 | FNTA (0.85) | FNTAFNTBCYP19A1CNR1CYP3A4 | |
| SCHEMBL6303535 | 0.81 | FNTA (1.00) | FNTAFNTBCYP19A1CNR1CYP3A4 | |
| SCHEMBL5561624 | 0.80 | FNTA (0.66) | FNTAFNTBCYP19A1CNR1CYP3A4 | |
| SCHEMBL6868055 | 0.76 | FNTA (0.63) | FNTAFNTBCYP19A1CNR1CYP3A4 | |
| SCHEMBL6870980 | 0.74 | FNTA (0.60) | FNTAFNTBCYP19A1CNR1CYP3A4 | |
| SCHEMBL7203867 | 0.74 | FNTA (0.49) | FNTAFNTBCYP19A1CNR1CYP3A4 | |
| SCHEMBL6866443 | 0.74 | FNTA (0.88) | FNTAFNTBCYP19A1CNR1CYP3A4 | |
| SCHEMBL11643112 | 0.71 | CYP17A1 (0.76) | FNTAFNTBCYP19A1CNR1CYP3A4 | |
| SCHEMBL6310693 | 0.71 | FNTA (0.67) | FNTAFNTBCYP19A1CNR1CYP3A4 | |
| SCHEMBL6305490 | 0.71 | FNTA (0.81) | FNTAFNTBCYP19A1CNR1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1106610-B1 | Farnesyl transferase inhibiting 2-quinolone derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2004-06-16 | — | — | EP | disclosed |
| EP-1019395-B1 | FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2002-01-30 | — | — | EP | disclosed |
| EP-1106610-A1 | Farnesyl transferase inhibiting 2-quinolone derivatives | Janssen Pharmaceutica N.V. (BE) | 2001-06-13 | — | — | EP | disclosed |
| US-5968952-A | ANTITUMOR AGENTS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1999-10-19 | — | — | US | disclosed |