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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 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 | |
|---|---|---|---|---|
| SCHEMBL3894 | 0.98 | METAP2 (0.47) | METAP2METAP1NPY5RENPP1 | |
| SCHEMBL11039491 | 0.96 | METAP2 (0.50) | METAP2METAP1NPY5RENPP1 | |
| SCHEMBL1963575 | 0.73 | METAP2 (0.47) | METAP2METAP1NPY5RENPP1 | |
| SCHEMBL375955 | 0.73 | SMN1; SMN2 (0.52) | METAP2METAP1NPY5RENPP1 | |
| SCHEMBL7787137 | 0.73 | METAP2 (0.47) | METAP2METAP1NPY5RENPP1 | |
| SCHEMBL277596 | 0.73 | METAP2 (0.51) | METAP2METAP1NPY5RENPP1 | |
| SCHEMBL3801779 | 0.73 | METAP2 (0.47) | METAP2METAP1NPY5RENPP1 | |
| SCHEMBL5632 | 0.73 | NUDT1 (0.50) | METAP2METAP1NPY5R | |
| SCHEMBL2011131 | 0.73 | METAP2 (0.47) | METAP2METAP1NPY5RENPP1 | |
| SCHEMBL357003 | 0.73 | METAP2 (0.47) | METAP2METAP1NPY5RENPP1 |
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 149 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021125261-A1 | THERAPEUTIC FOR HIGH-RISK MYELODYSPLASTIC SYNDROME | 一般社団法人 東京血液疾患研究所 | 2021-06-24 | — | — | WO | claimed |
| EP-3411039-B1 | MERCAPTOPURINE HEMIHYDRATE | UNIV MICHIGAN REGENTS (US) | 2020-06-24 | — | — | EP | claimed |
| US-10590137-B2 | Mercaptopurine hemihydrate | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2020-03-17 | — | — | US | claimed |
| US-20190048010-A1 | Mercaptopurine Hemihydrate | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-02-14 | — | — | US | claimed |
| EP-3411039-A1 | MERCAPTOPURINE HEMIHYDRATE | The Regents of The University of Michigan (US) | 2018-12-12 | — | — | EP | claimed |
| WO-2017136488-A1 | MERCAPTOPURINE HEMIHYDRATE | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-08-10 | — | — | WO | claimed |
| CN-104800195-A | Auto magnetic metal salen complex compound | IHI CORP | 2015-07-29 | — | — | CN | claimed |
| US-20140206635-A1 | METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG | IHI CORPORATION (JP) | 2014-07-24 | — | — | US | claimed |
| EP-2738158-A1 | METAL SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC, AND ANTI-MALIGNANT TUMOR AGENT | IHI Corporation (JP) | 2014-06-04 | — | — | EP | claimed |
| CN-103781760-A | Metal salen complex compound, local anesthetic agent, and anti-malignant tumor agent | IHI CORP | 2014-05-07 | — | — | CN | claimed |
| US-20140046021-A1 | SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND | IHI CORPORATION (JP) | 2014-02-13 | — | — | US | claimed |
| CN-103547564-A | Auto-magnetic metal salen complex compound | IHI CORP | 2014-01-29 | — | — | CN | claimed |
| EP-2682384-A1 | AUTO-MAGNETIC METAL SALEN COMPLEX COMPOUND | IHI Corporation (JP) | 2014-01-08 | — | — | EP | claimed |
| US-20120029167-A1 | AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND | YOSHIHIRO ISHIKAWA (JP) | 2012-02-02 | — | — | US | claimed |
| CN-102239138-A | Self-magnetic metal salen complex | IHI CORP (JP) | 2011-11-09 | — | — | CN | claimed |
| EP-2357166-A1 | AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND | IHI Corporation (JP) | 2011-08-17 | — | — | EP | claimed |
| US-7901453-B2 | Coated implantable medical device | COOK INCORPORATED (US) | 2011-03-08 | — | — | US | claimed |
| US-20080145399-A1 | coronary stent has a multilayer coatings for controlled release of immunosuppressive agent active materials, including a porous cover layer | COOK MEDICAL TECHNOLOGIES LLC | 2008-06-19 | — | — | US | claimed |
| US-20080145398-A1 | coronary stent has a multilayer coatings for controlled release of immunosuppressive agent active materials, including a porous cover layer | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT | 2008-06-19 | — | — | US | claimed |
| US-20030036794-A1 | Coated implantable medical device | COOK INCORPORATED | 2003-02-20 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 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-20120029167-A1 | AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND | SDHB, SDHA, SLC40A1 | METAP2 2806/4885METAP1 3327/4885NPY5R 3746/4885 |
| US-20140206635-A1 | METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG | NCLN, KCNN2, NCSTN | METAP2 3718/4885METAP1 3782/4885NPY5R 4749/4885 |
| US-20140046021-A1 | SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND | SSBP1, KCNN1, IMMT | METAP2 3317/4885METAP1 3388/4885NPY5R 4665/4885 |
| US-10590137-B2 | Mercaptopurine hemihydrate | TPMT, MTHFD2, MSH2 | METAP2 53/4885METAP1 45/4885NPY5R 4763/4885 |
| US-20190048010-A1 | Mercaptopurine Hemihydrate | TPMT, MTHFD2, MSH2 | METAP2 53/4885METAP1 45/4885NPY5R 4763/4885 |
“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.