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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.45 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.45 |
| ▸ | HTR5A known ✓ | P47898 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3693292 | 1.00 | — | — | |
| SCHEMBL25898376 | 1.00 | — | — | |
| SCHEMBL35970 | 1.00 | — | — | |
| SCHEMBL11271315 | 0.98 | CHRM2 (0.44) | CHRM2CHRM4CHRM5CHRM3HTR5A | |
| Methyl Alcohol SCHEMBL20595722 | 0.94 | CHRM2 (0.46) | CHRM2CHRM4CHRM5CHRM3HTR5A | |
| SCHEMBL335003 | 0.80 | — | — | |
| SCHEMBL5323919 | 0.80 | — | — | |
| SCHEMBL7525930 | 0.80 | — | — | |
| SCHEMBL6046405 | 0.79 | — | — | |
| SCHEMBL11851422 | 0.77 | — | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109796462-A | A kind of preparation method of irinotecan hydrochloride | 辰欣药业股份有限公司 | 2019-05-24 | — | — | CN | disclosed |
| US-20150080569-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2015-03-19 | — | — | US | disclosed |
| US-8809266-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2014-08-19 | — | — | US | disclosed |
| CN-101790524-B | Antiviral compounds | GILEAD SCIENCES INC | 2014-07-16 | — | — | CN | disclosed |
| US-20130274439-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. | 2013-10-17 | — | — | US | disclosed |
| US-8420597-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2013-04-16 | — | — | US | disclosed |
| US-20130053577-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2013-02-28 | — | — | US | disclosed |
| EP-2542545-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | Merck Sharp & Dohme Corp. (US) | 2013-01-09 | — | — | EP | disclosed |
| US-20120328569-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | MERCK SHARP & DOHME CORP. | 2012-12-27 | — | — | US | disclosed |
| US-8283442-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2012-10-09 | — | — | US | disclosed |
| EP-2162431-A2 | ANTIVIRAL COMPOUNDS | Gilead Sciences, Inc. (US) | 2010-03-17 | — | — | EP | disclosed |
| US-20090306387-A1 | METHOD OF MANUFACTURING OF 7-ETHYL-10-HYDROXYCAMPTOTHECIN | DOBROVOLNY PETR | 2009-12-10 | — | — | US | disclosed |
| US-20090257978-A1 | Antiviral coumpounds | GILEAD SCIENCES, INC. (US) | 2009-10-15 | — | — | US | disclosed |
| US-7544801-B2 | Method of manufacturing of 7-ethyl-10-hydroxycamptothecin | PLIVA-LACHEMA A.S. (CZ) | 2009-06-09 | — | — | US | disclosed |
| WO-2009005676-A2 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2009-01-08 | — | — | WO | disclosed |
| US-20070123552-A1 | Method of manufacturing of 7-ethyl-10-hydroxycamptotecin | PLIVA - LACHEMA A.S., V LIKVIDACI (CZ) | 2007-05-31 | — | — | US | disclosed |
| EP-1697380-B1 | THE METHOD OF MANUFACTURING OF 7-ETHYL-10-HYDROXYCAMPTOTHECIN | PLIVA LACHEMA AS (CZ) | 2007-05-16 | — | — | EP | disclosed |
| EP-0074256-B1 | CAMPTOTHECIN DERIVATIVES, PROCESSES FOR PREPARING SAME, FORMULATIONS CONTAINING SUCH DERIVATIVES AND THEIR USE | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1986-11-20 | — | — | EP | disclosed |
| US-4545880-A | Photochemical process for preparing camptothecin derivatives | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1985-10-08 | — | — | US | disclosed |
| US-4473692-A | Camptothecin derivatives and process for preparing same | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1984-09-25 | — | — | US | 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-20130274439-A1 | ANTIVIRAL COMPOUNDS | MAVS, EIF2AK2, ZC3HAV1 | CHRM2 4881/4885CHRM4 4849/4885CHRM5 4859/4885 |
| US-20090257978-A1 | Antiviral coumpounds | MAVS, ZC3HAV1, EIF2AK2 | CHRM2 4862/4885CHRM4 4776/4885CHRM5 4867/4885 |
| US-20120328569-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | HCCS, EIF2AK2, RNGTT | CHRM2 4885/4885CHRM4 4878/4885CHRM5 4850/4885 |
| US-20130053577-A1 | ANTIVIRAL COMPOUNDS | MAVS, EIF2AK2, ZC3HAV1 | CHRM2 4881/4885CHRM4 4849/4885CHRM5 4859/4885 |
| US-20090306387-A1 | METHOD OF MANUFACTURING OF 7-ETHYL-10-HYDROXYCAMPTOTHECIN | CYP3A7, CYP11B1, POR | CHRM2 4280/4885CHRM4 3877/4885CHRM5 2952/4885 |
| US-20070123552-A1 | Method of manufacturing of 7-ethyl-10-hydroxycamptotecin | CYP11B1, HCCS, CYP3A7 | CHRM2 4148/4885CHRM4 3476/4885CHRM5 3284/4885 |
| US-20150080569-A1 | ANTIVIRAL COMPOUNDS | MAVS, EIF2AK2, ZC3HAV1 | CHRM2 4881/4885CHRM4 4849/4885CHRM5 4859/4885 |
“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.