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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.52 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.47 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | FNTA | P49354 | 1/20 | 0.45 |
| ▸ | FNTB | P49356 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25948043 | 0.97 | ACHE (0.55) | ACHEENPP3ARPGRHSD17B1 | |
| SCHEMBL5545442 | 0.97 | ACHE (0.55) | ACHEENPP3ARPGRHSD17B1 | |
| SCHEMBL23003863 | 0.97 | ACHE (0.55) | ACHEENPP3ARPGRHSD17B1 | |
| SCHEMBL29929976 | 0.97 | ACHE (0.55) | ACHEENPP3ARPGRHSD17B1 | |
| SCHEMBL20986956 | 0.93 | TSHR (0.52) | ACHEENPP3PGRHSD17B1HSD17B2 | |
| SCHEMBL6561397 | 0.92 | ACHE (0.61) | ACHEENPP3ARPGRHSD17B1 | |
| SCHEMBL18797759 | 0.89 | ACHE (0.65) | ACHEENPP3PGRHSD17B1HSD17B2 | |
| SCHEMBL29057032 | 0.87 | ACHE (0.55) | ACHEENPP3ARPGRHSD17B1 | |
| SCHEMBL20689786 | 0.87 | TSHR (0.55) | ACHEENPP3PGRHSD17B1HSD17B2 | |
| SCHEMBL30493472 | 0.87 | ACHE (0.55) | ACHEENPP3ARPGRHSD17B1 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3626716-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2020-03-25 | — | — | EP | disclosed |
| US-9981955-B2 | Antiviral compounds | GILEAD PHARMASSET LLC (US) | 2018-05-29 | — | — | US | disclosed |
| EP-3309157-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2018-04-18 | — | — | EP | disclosed |
| EP-3002281-B1 | ANTIVIRAL COMPOUNDS | GILEAD PHARMASSET LLC (US) | 2017-09-13 | — | — | EP | disclosed |
| US-20170029408-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. | 2017-02-02 | — | — | US | disclosed |
| US-9511056-B2 | Antiviral compounds | GILEAD PHARMASSET LLC (US) | 2016-12-06 | — | — | US | disclosed |
| EP-3002281-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2016-04-06 | — | — | EP | disclosed |
| US-8841278-B2 | Antiviral compounds | GILEAD PHARMASSET LLC (US) | 2014-09-23 | — | — | US | disclosed |
| US-20140249074-A1 | ANTIVIRAL COMPOUNDS | GILEAD PHARMASSET LLC (US) | 2014-09-04 | — | — | US | disclosed |
| US-8822430-B2 | Antiviral compounds | GILEAD PHARMASSET LLC (US) | 2014-09-02 | — | — | US | disclosed |
| US-20140039021-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2014-02-06 | — | — | US | disclosed |
| US-8575118-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| US-20130137877-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2013-05-30 | — | — | US | disclosed |
| US-20120264711-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-10-18 | — | — | US | disclosed |
| US-8273341-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2012-09-25 | — | — | US | disclosed |
| US-20120157404-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-06-21 | — | — | US | disclosed |
| EP-2430014-A1 | ANTIVIRAL COMPOUNDS | Gilead Sciences, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| US-8088368-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| US-20100310512-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. | 2010-12-09 | — | — | US | disclosed |
| WO-2010132601-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2010-11-18 | — | — | WO | 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 (7 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-20170029408-A1 | ANTIVIRAL COMPOUNDS | MAVS, EIF2AK2, ZC3HAV1 | ACHE 4093/4885MEN1 4292/4885ENPP3 902/4885 |
| US-20130137877-A1 | ANTIVIRAL COMPOUNDS | MAVS, EIF2AK2, ZC3HAV1 | ACHE 4093/4885MEN1 4292/4885ENPP3 902/4885 |
| US-20120264711-A1 | ANTIVIRAL COMPOUNDS | MAVS, EIF2AK2, ZC3HAV1 | ACHE 4093/4885MEN1 4292/4885ENPP3 902/4885 |
| US-20120157404-A1 | ANTIVIRAL COMPOUNDS | MAVS, EIF2AK2, ZC3HAV1 | ACHE 4093/4885MEN1 4292/4885ENPP3 902/4885 |
| US-20140039021-A1 | ANTIVIRAL COMPOUNDS | MAVS, EIF2AK2, ZC3HAV1 | ACHE 4093/4885MEN1 4292/4885ENPP3 902/4885 |
| US-20100310512-A1 | ANTIVIRAL COMPOUNDS | MAVS, EIF2AK2, ZC3HAV1 | ACHE 4093/4885MEN1 4292/4885ENPP3 902/4885 |
| US-20140249074-A1 | ANTIVIRAL COMPOUNDS | MAVS, EIF2AK2, ZC3HAV1 | ACHE 4093/4885MEN1 4292/4885ENPP3 902/4885 |
“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.