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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 5/20 | 0.53 |
| ▸ | MAOA | P21397 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL360287 | 0.98 | CES1 (0.63) | CES1CA1CA2TDP1TSHR | |
| Oxalic Acid SCHEMBL27286923 | 0.92 | TDP1 (0.60) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL10825957 | 0.89 | MAPK1 (0.76) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL8923535 | 0.84 | MAOB (0.50) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL8024786 | 0.80 | MAPK1 (0.62) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL5099884 | 0.80 | CES1 (0.61) | CES1CA1CA2TDP1TSHR | |
| Water SCHEMBL11592745 | 0.80 | ALDH1A1 (0.70) | TDP1TSHRALDH1A1MAPK1CYP1B1 | |
| Water SCHEMBL11592742 | 0.80 | ALDH1A1 (0.70) | TDP1TSHRALDH1A1MAPK1CYP1B1 | |
| SCHEMBL10539689 | 0.79 | CES1 (0.55) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL10861302 | 0.78 | TDP1 (0.62) | CES1CA1CA2TDP1TSHR |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116253733-A | Preparation method of drug intermediate imidazo [1,2-a ] pyridine compound | 南京欣久医药科技有限公司 | 2023-06-13 | — | — | CN | claimed |
| CN-116332943-A | Preparation method of drug intermediate disubstituted 1,6-dihydropyrrolo [2,3-g ] indazole derivative | 南京苏亦欣医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-116253733-A | Preparation method of drug intermediate imidazo [1,2-a ] pyridine compound | 南京欣久医药科技有限公司 | 2023-06-13 | — | — | CN | disclosed |
| US-8143251-B2 | Triazolotriazines as kinase inhibitors | INCYTE CORPORATION (US) | 2012-03-27 | — | — | US | disclosed |
| US-20110144113-A1 | TRIAZOLOTRIAZINES AS KINASE INHIBITORS | INCYTE CORPORATION | 2011-06-16 | — | — | US | disclosed |
| US-7915408-B2 | Triazolotriazines as kinase inhibitors | INCYTE CORPORATION (US) | 2011-03-29 | — | — | US | disclosed |
| US-20100130467-A1 | TRIAZOLOTRIAZINES AS KINASE INHIBITORS | INCYTE CORPORATION | 2010-05-27 | — | — | US | disclosed |
| US-7683060-B2 | Triazolotriazines as kinase inhibitors | INCYTE CORPORATION (US) | 2010-03-23 | — | — | US | disclosed |
| EP-2057164-A1 | TRIAZOLOTRIAZINES AS KINASE INHIBITORS | Incyte Corporation (US) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008021781-A1 | TRIAZOLOTRIAZINES AS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |
| US-20080039457-A1 | TRIAZOLOTRIAZINES AS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2008-02-14 | — | — | 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 (3 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-20080039457-A1 | TRIAZOLOTRIAZINES AS KINASE INHIBITORS | MET, ERBB2, RET | GSK3B 262/4885CES1 2484/4885CA1 3997/4885 |
| US-20100130467-A1 | TRIAZOLOTRIAZINES AS KINASE INHIBITORS | MET, ERBB2, RET | GSK3B 262/4885CES1 2484/4885CA1 3997/4885 |
| US-20110144113-A1 | TRIAZOLOTRIAZINES AS KINASE INHIBITORS | MET, ERBB2, RET | GSK3B 262/4885CES1 2484/4885CA1 3997/4885 |
“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.