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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 4/20 | 0.52 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.52 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.47 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.52 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.52 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.52 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CCR5 | P51681 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5703029 | 0.82 | GRIN2D (0.60) | L3MBTL1MAPTGAAALDH1A1GRIN2D | |
| SCHEMBL29652995 | 0.80 | BACE1 (0.56) | L3MBTL1MAPTGAAALDH1A1EGFR | |
| SCHEMBL24455990 | 0.80 | BACE1 (0.56) | L3MBTL1MAPTGAAALDH1A1EGFR | |
| SCHEMBL17300476 | 0.77 | BACE1 (0.56) | L3MBTL1MAPTGAAALDH1A1EGFR | |
| Water SCHEMBL6574634 | 0.77 | MAPT (0.55) | L3MBTL1MAPTGAAALDH1A1EGFR | |
| SCHEMBL7750354 | 0.75 | MAPT (0.56) | L3MBTL1MAPTGAAALDH1A1EGFR | |
| SCHEMBL7750350 | 0.75 | MAPT (0.56) | L3MBTL1MAPTGAAALDH1A1EGFR | |
| Water SCHEMBL6576235 | 0.74 | MAPT (0.97) | L3MBTL1MAPTGAAALDH1A1GRIN2D | |
| SCHEMBL13673677 | 0.74 | MAPT (0.55) | L3MBTL1MAPTGAAALDH1A1EGFR | |
| SCHEMBL6573504 | 0.73 | HTR1A (0.55) | L3MBTL1MAPTGAAALDH1A1GRIN2D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1120405-B1 | Oxidation bases with a guanidine chain, process for their preparation, their use for oxidation dyeing of keratinous fibers, dyeing compositions and dyeing processes | OREAL (FR) | 2004-10-27 | — | — | EP | disclosed |
| US-6652600-B2 | Oxidation color dye | L'OREAL S.A. (FR) | 2003-11-25 | — | — | US | disclosed |
| US-20010034913-A1 | Novel oxidation bases containing a guanidine chain, process for preparing them, their use for the oxidation dyeing of keratin fibers, dye compositions and dyeing processes | L'OREAL S.A. (FR) | 2001-11-01 | — | — | US | disclosed |
| EP-1120405-A2 | Oxidation bases with a guanidine chain, process for their preparation, their use for oxidation dyeing of keratinous fibers, dyeing compositions and dyeing processes | L'OREAL (FR) | 2001-08-01 | — | — | 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-20010034913-A1 | Novel oxidation bases containing a guanidine chain, process for preparing them, their use for the oxidation dyeing of keratin fibers, dye compositions and dyeing processes | KRT18, OGG1, UNG | GRIN2A 3612/4885EGFR 2795/4885HTR1A 4211/4885 |
“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.