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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.59 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.59 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.54 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.53 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.50 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.47 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.47 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1330042 | 0.98 | DNM1 (0.62) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL1289118 | 0.98 | DNM1 (0.62) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL27835122 | 0.98 | DNM1 (0.62) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL17422661 | 0.95 | DNM1 (0.59) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL17422642 | 0.95 | DNM1 (0.59) | DNM1MEN1KMT2AALDH1A1TSHR | |
| Ethylene SCHEMBL15635187 | 0.93 | DNM1 (0.56) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL6263739 | 0.93 | SPHK1 (0.56) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL29263196 | 0.93 | SPHK1 (0.56) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL11514138 | 0.93 | SPHK1 (0.56) | DNM1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL9407889 | 0.93 | SPHK1 (0.56) | DNM1MEN1KMT2AALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-9708521-B2 | Systems and methods employing low molecular weight gelators for crude oil, petroleum product or chemical spill containment and remediation | GEORGETOWN UNIVERSITY (US) | 2017-07-18 | — | — | US | disclosed |
| US-9109150-B2 | Fast recovery of thixotropy by organogels with low molecular weight gelators | GEORGETOWN UNIVERSITY (US) | 2015-08-18 | — | — | US | disclosed |
| US-20120136074-A1 | SYSTEMS AND METHODS EMPLOYING LOW MOLECULAR WEIGHT GELATORS FOR CRUDE OIL, PETROLEUM PRODUCT OR CHEMICAL SPILL CONTAINMENT AND REMEDIATION | GEORGETOWN UNIVERSITY (US) | 2012-05-31 | — | — | US | disclosed |
| US-20110251294-A1 | FAST RECOVERY OF THIXOTROPY BY ORGANOGELS WITH LOW MOLECULAR WEIGHT GELATORS | GEORGETOWN UNIVERSITY (US) | 2011-10-13 | — | — | 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-20110251294-A1 | FAST RECOVERY OF THIXOTROPY BY ORGANOGELS WITH LOW MOLECULAR WEIGHT GELATORS | TBXAS1, TBXA2R, TSNAX | MEN1 2153/4885DNM1 4373/4885KMT2A 4328/4885 |
“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.