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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL8428240 | 0.95 | GABRR1 (0.33) | GABRR1GLRA1SLC6A9OR51E2KDM4E | |
| SCHEMBL10712673 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL31634366 | 0.76 | ALDH1A1 (0.33) | — | |
| Benzene SCHEMBL10830313 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL19267502 | 0.69 | — | — | |
| SCHEMBL11248926 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8387607 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL2289332 | 0.68 | — | — | |
| SCHEMBL1226620 | 0.67 | — | — | |
| Water SCHEMBL4737329 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080119499-A1 | Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications | MEMPILE INC. (DE) | 2008-05-22 | — | — | US | disclosed |
| EP-1842097-A1 | COMPOUNDS HAVING IMPROVED 2-PHOTON ABSORBANCE FOR NONLINEAR APPLICATIONS | Mempile Inc. (US) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006075328-A1 | COMPOUNDS HAVING IMPROVED 2-PHOTON ABSORBANCE FOR NONLINEAR APPLICATIONS | MEMPILE INC. (US) | 2006-07-20 | — | — | WO | disclosed |
| US-4582796-A | ANTIBIOTICS | PFIZER, INC. (US) | 1986-04-15 | — | — | US | disclosed |
| US-4543334-A | Streptomyces capable of producing neutral macrolide antibacterial agents | PFIZER INC. (US) | 1985-09-24 | — | — | US | disclosed |
| US-4496546-A | ANTIBIOTIC, BACTERICIDE | PFIZER INC. (US) | 1985-01-29 | — | — | US | disclosed |
| US-4465674-A | BACTERICIDES | PFIZER INC. (US) | 1984-08-14 | — | — | US | 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-20080119499-A1 | Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications | HTR3D, CRY2, CNDP2 | GABRR1 3212/4885GLRA1 2227/4885SLC6A9 2331/4885 |
“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.