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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 5/20 | 0.53 |
| ▸ | ACHE known ✓ | P22303 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.61 |
| ▸ | APEX1 | P27695 | 3/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.46 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
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 SCHEMBL3860312 | 0.97 | MEN1 (0.56) | CYP3A4SLC5A7APEX1NPSR1MEN1 | |
| Hydrochloric Acid SCHEMBL28118201 | 0.97 | CYP3A4 (0.65) | CYP3A4SLC5A7APEX1NPSR1MEN1 | |
| Hydrochloric Acid SCHEMBL93724 | 0.97 | — | — | |
| Ethane SCHEMBL28247302 | 0.94 | CYP3A4 (0.61) | CYP3A4SLC5A7APEX1NPSR1MEN1 | |
| SCHEMBL98070 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28073875 | 0.91 | CYP3A4 (0.58) | CYP3A4SLC5A7APEX1NPSR1MEN1 | |
| Bromide SCHEMBL6153684 | 0.90 | — | — | |
| Iodide SCHEMBL2843484 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL11059657 | 0.90 | — | — | |
| SCHEMBL29115129 | 0.90 | — | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021066159-A1 | SUGAR COMPOSITION CONTAINING CYCLIC TETRASACCHARIDE, USE THEREOF, AND PRODUCTION METHOD THEREFOR | 株式会社林原 | 2021-04-08 | — | — | WO | disclosed |
| WO-2021065788-A1 | EMULSION COMPOSITION, COSMETIC COMPOSITION, AND METHOD FOR PRODUCING EMULSION COMPOSITION | 大王製紙株式会社 | 2021-04-08 | — | — | WO | disclosed |
| WO-2020137220-A1 | HIGH INTERNAL OIL PHASE OIL-IN-WATER EMULSION COMPOSITION | 株式会社 資生堂 | 2020-07-02 | — | — | WO | disclosed |
| EP-3491112-A1 | PROCESS FOR THE PREPARATION OF MICROCAPSULES | Firmenich SA (CH) | 2019-06-05 | — | — | EP | disclosed |
| EP-3437624-A1 | VISCOUS COMPOSITION | Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) | 2019-02-06 | — | — | EP | disclosed |
| EP-3437629-A1 | VISCOUS COMPOSITION | Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) | 2019-02-06 | — | — | EP | disclosed |
| EP-2526922-B1 | VISCOUS COMPOSITION | DAI ICHI KOGYO SEIYAKU CO LTD (JP) | 2018-10-03 | — | — | EP | disclosed |
| US-9901527-B2 | Viscous composition | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 2018-02-27 | — | — | US | disclosed |
| WO-2018019908-A1 | PROCESS FOR THE PREPARATION OF MICROCAPSULES | FIRMENICH SA (CH) | 2018-02-01 | — | — | WO | disclosed |
| US-9801802-B2 | Viscous composition | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 2017-10-31 | — | — | US | disclosed |
| EP-0965327-B1 | WRINKLING MODIFIERS | KAO CORP (JP) | 2005-03-16 | — | — | EP | disclosed |
| US-20030145395-A1 | Hair dye compositions for dressing the hair | COSMOBEAUTY CO., LTD. (JP) | 2003-08-07 | — | — | US | disclosed |
| US-6569829-B1 | Removing impurities from a long chain N-acyl acidic amino acid such as N-lauroyl-L-glutamic acid containing an inorganic salt by solvent extraction using a solution of water and tert-butanol; use in cosmetics and detergents | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2003-05-27 | — | — | US | disclosed |
| US-20020187166-A1 | COSMETIC COMPOSITION COMPRISING A PHOSPHORIC TRIESTER AND A SKIN ACTIVATING COMPONENT | KAO CORPORATION (JP) | 2002-12-12 | — | — | US | disclosed |
| EP-1156033-A1 | PROCESS FOR PRODUCING ACIDIC N-(LONG-CHAIN ACYL)AMINO ACID | Asahi Kasei Kabushiki Kaisha (JP) | 2001-11-21 | — | — | EP | disclosed |
| EP-0965328-A1 | COSMETIC | Kao Corporation (JP) | 1999-12-22 | — | — | EP | disclosed |
| EP-0965327-A1 | WRINKLING MODIFIERS | Kao Corporation (JP) | 1999-12-22 | — | — | EP | disclosed |
| EP-0858794-A2 | Hair care products | KAO CORPORATION (JP) | 1998-08-19 | — | — | EP | disclosed |
| US-4264322-A | DYES DISPERSED IN TWO GEL PHASES | CELANESE CORPORATION (US) | 1981-04-28 | — | — | US | disclosed |
| EP-0025679-A2 | Multicolor coating system, process for producing it, process using it to achieve a multicolor pattern on a surface, and articles having such multicolor patterns | CELANESE CORPORATION (US) | 1981-03-25 | — | — | EP | 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-20020187166-A1 | COSMETIC COMPOSITION COMPRISING A PHOSPHORIC TRIESTER AND A SKIN ACTIVATING COMPONENT | CUTA, PIM1, PIM2 | MEN1 2941/4885ACHE 2464/4885CYP3A4 3813/4885 |
“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.