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 2)
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 SCHEMBL3706340 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL7855880 | 0.95 | — | — | |
| SCHEMBL285 | 0.94 | — | — | |
| Fluoride SCHEMBL9698194 | 0.94 | — | — | |
| SCHEMBL18185998 | 0.94 | ALDH1A1 (0.46) | ALDH1A1TSHR | |
| SCHEMBL5084531 | 0.94 | — | — | |
| SCHEMBL145743 | 0.94 | — | — | |
| Hydrazine SCHEMBL20766052 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL23466884 | 0.89 | ALDH1A1 (0.42) | ALDH1A1TSHR | |
| SCHEMBL11125555 | 0.89 | ALDH1A1 (0.42) | ALDH1A1TSHR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5844018-A | Tooth restoration composition, structure and methods | JACOBS RICHARD (US) | 1998-12-01 | — | — | US | disclosed |
| US-5614575-A | FIBER REINFORCEMENT | RPG. INC. (US) | 1997-03-25 | — | — | US | disclosed |
| US-5378737-A | Polyurethane polymers for shaping and restoration with aromatic isocyanates and hydroxylated tertiary amines and polyols | JACOBS RICHARD (US) | 1995-01-03 | — | — | US | disclosed |
| US-5252697-A | Tooth restoration composition, structures and methods | JACOBS RICHARD (US) | 1993-10-12 | — | — | US | disclosed |
| EP-0226619-B1 | USE OF URETHANE COMPOSITIONS FOR BUMPER REPAIR | JACOBS, Richard (US) | 1992-12-16 | — | — | EP | disclosed |
| EP-0222899-B1 | TOOTH RESTORATION COMPOSITION, STRUCTURE AND METHODS | PORTEOUS, Don D. (US) | 1992-04-22 | — | — | EP | disclosed |
| EP-0222899-A4 | TOOTH RESTORATION COMPOSITION, STRUCTURE AND METHODS. | PORTEOUS DON D (US) | 1989-02-09 | — | — | EP | disclosed |
| EP-0226619-A4 | Use of urethane compositions for bumper repair. | JACOBS RICHARD | 1989-01-24 | — | — | EP | disclosed |
| EP-0226619-A1 | Use of urethane compositions for bumper repair. | JACOBS RICHARD | 1987-07-01 | — | — | EP | disclosed |
| US-4677157-A | POLYURETHANE WITH CRYSTALLINE POLYMER PHASE DISTRIBUTED IN AMORPHOUS PHASE POLYMER | 3M INNOVATIVE PROPERTIES COMPANY | 1987-06-30 | — | — | US | disclosed |
| EP-0222899-A1 | TOOTH RESTORATION COMPOSITION, STRUCTURE AND METHODS. | PORTEOUS DON D (US) | 1987-05-27 | — | — | EP | disclosed |
| WO-1986006957-A1 | TOOTH RESTORATION COMPOSITION, STRUCTURE AND METHODS | PORTEOUS DON D (US) | 1986-12-04 | — | — | WO | disclosed |
| WO-1986007069-A1 | BUMPER REPAIR COMPOSITION | JACOBS RICHARD | 1986-12-04 | — | — | WO | disclosed |