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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL866054 | 0.91 | — | — | |
| SCHEMBL9635020 | 0.83 | TSHR (0.33) | TSHRATMATRALDH1A1LMNA | |
| Iodide SCHEMBL17025881 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL7557248 | 0.83 | TSHR (0.33) | TSHRATMATRALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL14782379 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL10972400 | 0.83 | LMNA (0.36) | TSHRATMATRALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL16761049 | 0.83 | LMNA (0.36) | TSHRATMATRALDH1A1LMNA | |
| SCHEMBL275325 | 0.83 | TSHR (0.33) | TSHRATMATRALDH1A1LMNA | |
| Ammonia Solution, Strong SCHEMBL2024277 | 0.83 | TSHR (0.33) | TSHRATMATRALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL26605047 | 0.83 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1644344-B1 | METHOD OF PREPARING CIS-8B-METHYLDECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENTA [FG]ACENAPHTHYLENE, CIS-DECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENTA [FG]ACENAPHTHYLENE, CYCLENE AND FUNCTIONALISED CYCLENES | CENTRE NAT RECH SCIENT (FR) | 2011-09-14 | — | — | EP | disclosed |
| US-7659393-B2 | Method of preparing cis-8b-methyldecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthylene, cis-decahydro-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthylene, cyclene and functionalised cyclenes | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2010-02-09 | — | — | US | disclosed |
| US-20060217548-A1 | Method of preparing cis-8b-methyldecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg] acenaphthylene, cis-decahydro-2a,4a,6a,8a-tetraazacyclopenta[fg] acenaphthylene, cyclene and functionalised cyclenes | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) | 2006-09-28 | — | — | US | disclosed |
| EP-1644344-A1 | METHOD OF PREPARING CIS-8B-METHYLDECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENTA [FG]ACENAPHTHYLENE, CIS-DECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENTA [FG]ACENAPHTHYLENE, CYCLENE AND FUNCTIONALISED CYCLENES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005000823-A1 | METHOD OF PREPARING CIS-8B-METHYLDECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENTA[FG]ACENAPHTHYLENE, CIS-DECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENTA[FG]ACENAPHTHYLENE, CYCLENE AND FUNCTIONALISED CYCLENES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2005-01-06 | — | — | WO | disclosed |
| EP-0914320-B1 | A PROCESS FOR THE PREPARATION OF TETRAAZAMACROCYCLES | BRACCO INT BV (NL) | 2002-09-04 | — | — | EP | disclosed |
| US-6248842-B1 | CROSSLINKED POLYMER | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2001-06-19 | — | — | US | disclosed |
| US-6114521-A | REACTING 2A,4A,6A,8A-DECAHYDRO-TETRAAZACYCLOPENT(FG)ACENAPHTHYLENE WITH BROMINE TO FORM INTERMEDIATE, HYDROLYZING THE INTERMEDIATE TO FORM 1,4,7,10-TETRAAZACYCLODODECANE | DIBRA S.P.A. (IT) | 2000-09-05 | — | — | US | disclosed |
| US-6013793-A | CONDENSING TRIETHYLENETETRAMINE WITH A GLYOXAL DERIVATIVE TO FORM TRICYCLO STRUCTURE, FURTHER ALKYLATION/CYCLIZATION, OXIDATION AND HYDROLYSIS TO YIELD 1,4,7,10-TETRAAZACYCLODODECANE | DIBRA S.P.A. (IT) | 2000-01-11 | — | — | US | disclosed |
| EP-0914320-A1 | A PROCESS FOR THE PREPARATION OF TETRAAZAMACROCYCLES | BRACCO INTERNATIONAL B.V. (NL) | 1999-05-12 | — | — | EP | disclosed |
| US-5880281-A | CONDENSING POLYAMINES WITH GLYOXAL DERIVATIVE, CONDENSING PRODUCT WITH ALKYLATING AGENT, OXIDIZING PRODUCT AND FINALLYHYDROLYZING IN ACID AQUEOUS SOLUTION | DIBRA S.P.A. (IT) | 1999-03-09 | — | — | US | disclosed |
| WO-1997049691-A1 | A PROCESS FOR THE PREPARATION OF TETRAAZAMACROCYCLES | BRACCO S.P.A. (IT) | 1997-12-31 | — | — | WO | disclosed |
| US-5395697-A | Epoxy coating compositions with metal-containing stabilizers and articles made therewith | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-03-07 | — | — | US | disclosed |
| US-5314980-A | Epoxy siloxanes, amine hardener complexed with metal stabilizer, protective coatings for plastic lenses | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1994-05-24 | — | — | 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 (1 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-20060217548-A1 | Method of preparing cis-8b-methyldecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg] acenaphthylene, cis-decahydro-2a,4a,6a,8a-tetraazacyclopenta[fg] acenaphthylene, cyclene and functionalised cyclenes | F8, CCNE2, CCNB2 | ACHE 2277/4885TSHR 2366/4885ATM 2951/4885 |
“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.