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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.44 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.42 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 7/20 | 0.56 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
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 SCHEMBL19283519 | 1.00 | CES1 (0.56) | CES1SRCCES2TSHRALDH1A1 | |
| Water SCHEMBL18124365 | 1.00 | CES1 (0.56) | CES1SRCCES2TSHRALDH1A1 | |
| Water SCHEMBL27561426 | 1.00 | CES1 (0.56) | CES1SRCCES2TSHRALDH1A1 | |
| SCHEMBL7684 | 0.97 | CES1 (0.58) | CES1SRCCES2TSHRALDH1A1 | |
| SCHEMBL32681153 | 0.97 | CES1 (0.58) | CES1SRCCES2TSHRALDH1A1 | |
| SCHEMBL414466 | 0.97 | CES1 (0.58) | CES1SRCCES2TSHRALDH1A1 | |
| SCHEMBL2904552 | 0.97 | CES1 (0.58) | CES1SRCCES2TSHRALDH1A1 | |
| SCHEMBL637241 | 0.97 | CES1 (0.58) | CES1SRCCES2TSHRALDH1A1 | |
| SCHEMBL31097912 | 0.97 | CES1 (0.58) | CES1SRCCES2TSHRALDH1A1 | |
| SCHEMBL11542843 | 0.95 | CES1 (0.56) | CES1SRCCES2TSHRALDH1A1 |
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 447 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260132108-A1 | PREPARATION OF MESEMBRINE | KANNA HEALTH LTD (GB) | 2026-05-14 | — | — | US | claimed |
| EP-4598904-A1 | PREPARATION OF MESEMBRINE | Kanna Health Limited (GB) | 2025-08-13 | — | — | EP | claimed |
| EP-3122708-B1 | AN IMPROVED PROCESS FOR THE PREPARATION OF EXAMETAZIME | JUBILANT GENERICS LTD (IN) | 2024-06-12 | — | — | EP | claimed |
| EP-3795553-B1 | METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYLCYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN | CELGENE CORP (US) | 2024-05-15 | — | — | EP | claimed |
| CN-117924274-A | Synthesis method of non-neridrones | 江苏德源药业股份有限公司 | 2024-04-26 | — | — | CN | claimed |
| CN-117924273-A | Preparation method of non-neridrone bulk drug | 江苏德源药业股份有限公司 | 2024-04-26 | — | — | CN | claimed |
| WO-2024074831-A1 | PREPARATION OF MESEMBRINE | Kanna Health Limited (GB) | 2024-04-11 | — | — | WO | claimed |
| CN-117700353-A | Preparation method of levobupivacaine and preparation method of levobupivacaine hydrochloride | 国药集团国瑞药业有限公司 | 2024-03-15 | — | — | CN | claimed |
| WO-2023231826-A1 | LETERMOVIR INTERMEDIATE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 浙江车头制药股份有限公司 | 2023-12-07 | — | — | WO | claimed |
| CN-115322157-B | Letermopevir intermediate compound, preparation method and application thereof | 浙江车头制药股份有限公司 | 2023-12-05 | — | — | CN | claimed |
| US-7301044-B2 | Preparation of chiral amino-nitriles | PFIZER INC. (US) | 2007-11-27 | — | — | US | claimed |
| CN-1293039-C | Preparation of [(S)-(-)-alpha-methylamino phenylketone]2.(2R,3R)-tartaric acid derivative | SHANGHAI INST OF MEDICINE INDU (CN) | 2007-01-03 | — | — | CN | claimed |
| EP-1517877-A1 | PREPARATION OF CHIRAL AMINO-NITRILES | PCBU Services, Inc. (US) | 2005-03-30 | — | — | EP | claimed |
| CN-1583714-A | Preparation of [(S)-(-)-alpha-methylamino phenylketone]2.(2R,3R)-tartaric acid derivative | SHANGHAI MEDICAL INDUSTRY ACAD (CN) | 2005-02-23 | — | — | CN | claimed |
| US-20050038281-A1 | Preparation of chiral amino-nitriles | PFIZER INC. | 2005-02-17 | — | — | US | claimed |
| WO-2004002924-A1 | PREPARATION OF CHIRAL AMINO-NITRILES | PCBU SERVICES, INC. (US) | 2004-01-08 | — | — | WO | claimed |
| US-20040002615-A1 | PREPARATION OF CHIRAL AMINO-NITRILES | PFIZER INC. | 2004-01-01 | — | — | US | claimed |
| US-6398857-B1 | ACCUSTIC PIEZOELECTRIC; HOT MELT INK JET PRINTING; BENZOIC ACID VEHICLE; ALKYL OR PHENYL CARBOXYLIC ACID VISCOSITY MODIFIER; RETAINS DESIRED HARDNESS | XEROX CORPORATION | 2002-06-04 | — | — | US | claimed |
| US-6395077-B1 | INKS WITH BENZOYLBENZOIC ACID AND COLORS | XEROX CORPORATION | 2002-05-28 | — | — | US | claimed |
| US-5352790-A | Process for the preparation of 1β-ethyl-1α-(hydroxymethyl)-1,2,3,4,6,7,12,12Bα-octahydro-indolo[2,3,-A]quinolizine and novel intermediates | RICHTER GEDEON VEGEYSZETI GYAR RT. (HU) | 1994-10-04 | — | — | 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 (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-20260132108-A1 | PREPARATION OF MESEMBRINE | BHMT, TMSB10, MSMO1 | PARP1 3461/4885MEN1 559/4885HDAC3 4443/4885 |
| US-20050038281-A1 | Preparation of chiral amino-nitriles | NOS3, NOS1, NOS2 | PARP1 4440/4885MEN1 3762/4885HDAC3 3389/4885 |
| US-20040002615-A1 | PREPARATION OF CHIRAL AMINO-NITRILES | NOS3, NOS1, NOS2 | PARP1 4440/4885MEN1 3762/4885HDAC3 3389/4885 |
“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.