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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL183903 | 0.97 | ALDH1A1 (0.43) | ALDH1A1TDP1KDM4EPOLBAPEX1 | |
| SCHEMBL27764997 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TDP1KDM4EPOLBAPEX1 | |
| SCHEMBL27841017 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TDP1KDM4EPOLBAPEX1 | |
| SCHEMBL11076120 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TDP1KDM4EPOLBAPEX1 | |
| Hydrochloric Acid SCHEMBL8629651 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TDP1KDM4EPOLBAPEX1 | |
| Benzene SCHEMBL28947691 | 0.95 | TDP1 (0.44) | ALDH1A1TDP1KDM4EPOLBAPEX1 | |
| Iodide SCHEMBL27949560 | 0.95 | ALDH1A1 (0.42) | ALDH1A1TDP1KDM4EPOLBAPEX1 | |
| Fluoromethane SCHEMBL27938455 | 0.93 | ALDH1A1 (0.40) | ALDH1A1TDP1KDM4EPOLBAPEX1 | |
| Propane SCHEMBL27908241 | 0.91 | ALDH1A1 (0.39) | ALDH1A1TDP1KDM4EPOLBAPEX1 | |
| SCHEMBL153279 | 0.86 | MYC (0.46) | ALDH1A1TDP1KDM4EPOLBAPEX1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11643573-B2 | Polishing composition, production method therefor, and polishing method and production method for substrate, using polishing composition | FUJIMI INCORPORATED (JP) | 2023-05-09 | — | — | US | disclosed |
| CN-110431209-B | Polishing composition, method for producing same, polishing method using same, and method for producing substrate | 福吉米株式会社 | 2022-06-28 | — | — | CN | disclosed |
| US-20210139739-A1 | POLISHING COMPOSITION, PRODUCTION METHOD THEREFOR, AND POLISHING METHOD USING POLISHING COMPOSITION, AND PRODUCTION METHOD FOR SUBSTRATE | FUJIMI INCORPORATED (JP) | 2021-05-13 | — | — | US | disclosed |
| CN-110431209-A | Composition for polishing, its manufacturing method and using its grinding method and substrate manufacturing method | FUJIMI INC | 2019-11-08 | — | — | CN | disclosed |
| EP-0383995-B1 | Aromatic thermosetting resins and preparation thereof | SUMIKIN CHEMICAL (JP) | 1997-10-15 | — | — | EP | disclosed |
| US-5017683-A | Organic acid catalyst | SUMIKIN CHEMICAL CO., LTD. (JP) | 1991-05-21 | — | — | US | disclosed |
| US-4115439-A | Process for the preparation of optically active α-phenylglycine and intermediates thereof | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1978-09-19 | — | — | US | disclosed |
| US-3936451-A | Process for producing salts of hexamethylenetetramine | UNITED STATES PIPE AND FOUNDRY COMPANY (US) | 1976-02-03 | — | — | US | disclosed |