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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.30 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.30 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL144630 | 0.98 | GABRA1 (0.39) | GABRA1GABRB2HTTAKR1B1ALDH1A1 | |
| Bromide SCHEMBL4908296 | 0.96 | GABRA1 (0.38) | GABRA1GABRB2HTTAKR1B1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL668040 | 0.96 | GABRA1 (0.38) | GABRA1GABRB2HTTAKR1B1ALDH1A1 | |
| SCHEMBL10614506 | 0.83 | GABRA1 (0.40) | GABRA1GABRB2AKR1B1 | |
| SCHEMBL11667013 | 0.82 | HTT (0.41) | HTTALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL10751108 | 0.81 | GABRA1 (0.39) | GABRA1GABRB2AKR1B1 | |
| SCHEMBL11056233 | 0.81 | GABRA1 (0.41) | GABRA1GABRB2HTTAKR1B1ALDH1A1 | |
| Water SCHEMBL2392756 | 0.80 | GABRA1 (0.39) | GABRA1GABRB2ALDH1A1TSHRICAM1 | |
| Iodide SCHEMBL19307326 | 0.79 | GABRA1 (0.36) | GABRA1GABRB2HTTALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL11501232 | 0.78 | GABRA1 (0.39) | GABRA1GABRB2AKR1B1ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-114805038-B | Synthesis method of poly (p-phenylene ethylene) photoelectric material intermediate | 荆州市天翼精细化工开发有限公司 | 2023-11-03 | — | — | CN | claimed |
| CN-115867614-A | UV-curable coating with high refractive index | 巴斯夫欧洲公司 | 2023-03-28 | — | — | CN | claimed |
| US-20220389245-A1 | METAL OXIDE NANOPARTICLES | BASF SE (DE) | 2022-12-08 | — | — | US | claimed |
| CN-114805038-A | Synthetic method of poly (p-phenylene ethylene) photoelectric material intermediate | 荆州市天翼精细化工开发有限公司 | 2022-07-29 | — | — | CN | claimed |
| CN-114401927-A | Metal oxide nanoparticles | 巴斯夫欧洲公司 | 2022-04-26 | — | — | CN | claimed |
| US-4359416-A | Process for preparing L-carnosine | PFIZER INC. (US) | 1982-11-16 | — | — | US | claimed |
| WO-2024012962-A1 | UV-CURABLE COATINGS HAVING HIGH REFRACTIVE INDEX | BASF SE (DE) | 2024-01-18 | — | — | WO | disclosed |
| CN-114805038-B | Synthesis method of poly (p-phenylene ethylene) photoelectric material intermediate | 荆州市天翼精细化工开发有限公司 | 2023-11-03 | — | — | CN | disclosed |
| US-20230312944-A1 | UV-CURABLE COATINGS HAVING HIGH REFRACTIVE INDEX | BASF SE (DE) | 2023-10-05 | — | — | US | disclosed |
| EP-4234641-A1 | COMPOSITIONS, COMPRISING MODIFIED TITANIUM DIOXIDE NANOPARTICLES AND USES THEREOF | BASF SE (DE) | 2023-08-30 | — | — | EP | disclosed |
| EP-4200365-A1 | UV-CURABLE COATINGS HAVING HIGH REFRACTIVE INDEX | BASF SE (DE) | 2023-06-28 | — | — | EP | disclosed |
| CN-115867614-A | UV-curable coating with high refractive index | 巴斯夫欧洲公司 | 2023-03-28 | — | — | CN | disclosed |
| US-20220389245-A1 | METAL OXIDE NANOPARTICLES | BASF SE (DE) | 2022-12-08 | — | — | US | disclosed |
| US-4855320-A | ANTICONVULSANTS, ANTIEPILEPTICS | DR. WILLMAR SCHWABE GMBH & COMPANY (DE) | 1989-08-08 | — | — | US | disclosed |
| US-4456758-A | Heterocyclic nitriles | RHONE-POULENC SANTE (FR) | 1984-06-26 | — | — | US | disclosed |
| US-4359416-A | Process for preparing L-carnosine | PFIZER INC. (US) | 1982-11-16 | — | — | US | disclosed |
| US-4309349-A | Stereospecific process for preparing epoxybenzodioxans | CIBA-GEIGY CORPORATION (US) | 1982-01-05 | — | — | US | disclosed |
| US-4261907-A | Stereospecific process | CIBA-GEIGY CORPORATION (US) | 1981-04-14 | — | — | US | disclosed |
| US-4212808-A | CONDENSING 2,3-BIS-HALOMETHYLOXIRANE AND SLATS OR CATECHOL | CIBA-GEIGY CORPORATION (US) | 1980-07-15 | — | — | US | disclosed |
| US-4187313-A | HYPOTENSIVE AGENTS, BRADYCARDIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1980-02-05 | — | — | US | disclosed |