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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.47 |
| ▸ | PTPRA | P18433 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL29453011 | 1.00 | PTPRA (0.55) | PTPRARAB9ANPC1SMN1; SMN2POLB | |
| Water SCHEMBL29453010 | 1.00 | PTPRA (0.55) | PTPRARAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL29676689 | 0.98 | PTPRA (0.56) | PTPRARAB9ANPC1SMN1; SMN2POLB | |
| Benzene SCHEMBL11747977 | 0.98 | PTPRA (0.56) | PTPRARAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL21298 | 0.98 | PTPRA (0.56) | PTPRARAB9ANPC1SMN1; SMN2POLB | |
| Hydrazine SCHEMBL27930717 | 0.96 | RAB9A (0.51) | PTPRARAB9ANPC1SMN1; SMN2POLB | |
| Iodide SCHEMBL2108436 | 0.96 | PTPRA (0.55) | PTPRARAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL988403 | 0.96 | PTPRA (0.55) | PTPRARAB9ANPC1SMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL6491192 | 0.96 | PTPRA (0.55) | PTPRARAB9ANPC1SMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL334937 | 0.96 | PTPRA (0.55) | PTPRARAB9ANPC1SMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-4264733-A | HYDROLYSIS OF ANIMAL ORGANS | HEPAR CHIMIE S.A. (CH) | 1981-04-28 | — | — | US | claimed |
| CN-102753538-A | Sultam derivatives | HOFFMANN LA ROCHE | 2012-10-24 | — | — | CN | disclosed |
| CN-101155800-B | Pyrazolylaminopyridine derivatives useful as kinase inhibitors | ASTRAZENECA AB | 2012-05-23 | — | — | CN | disclosed |
| CN-1984900-B | Indole derivatives having piperidine ring | EISAI R&D MAN CO LTD | 2010-11-10 | — | — | CN | disclosed |
| CN-101155800-A | Pyrazolylaminopyridine derivatives useful as kinase inhibitors | ASTRAZENECA AB (SE) | 2008-04-02 | — | — | CN | disclosed |
| US-20070172925-A1 | Ribonucleic acid compound and method of liquid-phase synthesis of oligonucleic acid compound | NIPPON SHINYAKU CO., LTD. (JP) | 2007-07-26 | — | — | US | disclosed |
| CN-1984900-A | Indole derivatives having piperidine ring | EISAI R&D MAN CO LTD (JP) | 2007-06-20 | — | — | CN | disclosed |
| EP-1710249-A1 | RIBONUCLEIC ACID COMPOUND AND METHOD OF LIQUID-PHASE SYNTHESIS OF OLIGONUCLEIC ACID COMPOUND | Nippon Shinyaku Co., Ltd. (JP) | 2006-10-11 | — | — | EP | disclosed |
| EP-1156122-A2 | A fluorescence polarization assay method | Novozymes A/S (DK) | 2001-11-21 | — | — | EP | disclosed |
| EP-1058738-B1 | A FLUORESCENCE POLARIZATION SCREENING METHOD | NOVOZYMES AS (DK) | 2001-11-14 | — | — | EP | disclosed |
| EP-0517788-B1 | 19 F LABELLED COMPOUNDS AS NMR IMAGING AND SPECTROSCOPY AGENTS | UNIV TEXAS (US) | 1995-08-02 | — | — | EP | disclosed |
| EP-0447188-B1 | 7-Oxabicycloheptane imidazole prostaglandin analogs useful in the treatment of thrombotic and vasospastic diseases | SQUIBB & SONS INC (US) | 1995-06-28 | — | — | EP | disclosed |
| EP-0447188-A2 | 7-Oxabicycloheptane imidazole prostaglandin analogs useful in the treatment of thrombotic and vasospastic diseases | E.R. SQUIBB & SONS, INC. (US) | 1991-09-18 | — | — | EP | disclosed |
| US-4451394-A | Dodecapeptides preventing glucose and triglyceride assimilation | AMERICAN HOME PRODUCTS CORPORATION (US) | 1984-05-29 | — | — | 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-20070172925-A1 | Ribonucleic acid compound and method of liquid-phase synthesis of oligonucleic acid compound | RNASEH1, NSUN2, POLR2H | MEN1 4069/4885PTPRA 4345/4885RAB9A 3431/4885 |
“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.