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 | |
|---|---|---|---|---|
| ▸ | BTK known ✓ | Q06187 | 1/20 | 0.39 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | APLNR | P35414 | 1/20 | 0.43 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
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 SCHEMBL29953222 | 1.00 | ENPP2 (0.45) | ENPP2APLNRORAI1ORAI2ORAI3 | |
| SCHEMBL29489857 | 0.98 | ENPP2 (0.47) | ENPP2APLNRORAI1ORAI2ORAI3 | |
| SCHEMBL4794 | 0.98 | ENPP2 (0.47) | ENPP2APLNRORAI1ORAI2ORAI3 | |
| Hydrochloric Acid SCHEMBL29955441 | 0.96 | ENPP2 (0.45) | ENPP2APLNRORAI1ORAI2ORAI3 | |
| SCHEMBL11989067 | 0.86 | APLNR (0.42) | ENPP2APLNRORAI1ORAI2ORAI3 | |
| SCHEMBL30761899 | 0.85 | ENPP2 (0.38) | ENPP2APLNRORAI1ORAI2ORAI3 | |
| SCHEMBL831688 | 0.80 | APLNR (0.43) | APLNRBTKCHRNB4CHRNA3SLC13A5 | |
| SCHEMBL29514083 | 0.78 | ALDH1A1 (0.44) | SLC13A5ALDH1A1HPGDNPC1 | |
| SCHEMBL1484717 | 0.78 | ALDH1A1 (0.44) | SLC13A5ALDH1A1HPGDNPC1 | |
| SCHEMBL5128448 | 0.77 | SSTR4 (0.37) | ENPP2 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250381187-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC. (US) | 2025-12-18 | — | — | US | disclosed |
| US-12440491-B2 | KRAS G12C inhibitors and methods of using the same | AMGEN INC. (US) | 2025-10-14 | — | — | US | disclosed |
| US-20240050430-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC. | 2024-02-15 | — | — | US | disclosed |
| EP-3788038-B1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC (US) | 2023-10-11 | — | — | EP | disclosed |
| US-11766436-B2 | KRAS G12C inhibitors and methods of using the same | AMGEN INC. (US) | 2023-09-26 | — | — | US | disclosed |
| US-20220395504-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC. | 2022-12-15 | — | — | US | disclosed |
| US-11090304-B2 | KRAS G12C inhibitors and methods of using the same | AMGEN INC. (US) | 2021-08-17 | — | — | US | disclosed |
| EP-3788038-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | Amgen Inc. (US) | 2021-03-10 | — | — | EP | disclosed |
| US-20190343838-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC. | 2019-11-14 | — | — | US | disclosed |
| EP-2758380-B1 | BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS | HOFFMANN LA ROCHE (CH) | 2015-10-21 | — | — | EP | disclosed |
| EP-2307400-B1 | INHIBITORS OF PI3 KINASE | AMGEN INC (US) | 2014-04-23 | — | — | EP | disclosed |
| US-8642788-B2 | Activators of executioner procaspases 3, 6 and 7 | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-02-04 | — | — | US | disclosed |
| US-8415376-B2 | Inhibitors of PI3 kinase | AMGEN INC. (US) | 2013-04-09 | — | — | US | disclosed |
| WO-2013041468-A1 | BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-28 | — | — | WO | disclosed |
| US-20130079346-A1 | BENZOIC ACID DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2013-03-28 | — | — | US | disclosed |
| US-20110092504-A1 | INHIBITORS OF PI3 KINASE | AMGEN INC. | 2011-04-21 | — | — | US | disclosed |
| EP-2307400-A2 | INHIBITORS OF PI3 KINASE | Amgen, Inc (US) | 2011-04-13 | — | — | EP | disclosed |
| EP-2237784-A1 | ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 | The Regents of the University of California (US) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009155121-A2 | INHIBITORS OF PI3 KINASE | AMGEN INC. (US) | 2009-12-23 | — | — | WO | disclosed |
| WO-2009089508-A1 | ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-07-16 | — | — | WO | 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 (9 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-20190343838-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | KRAS, NRAS, HRAS | BTK 3723/4885PDGFRB 1684/4885ENPP2 698/4885 |
| US-11090304-B2 | KRAS G12C inhibitors and methods of using the same | KRAS, NRAS, HRAS | BTK 3723/4885PDGFRB 1684/4885ENPP2 698/4885 |
| US-20250381187-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | KRAS, NRAS, HRAS | BTK 3723/4885PDGFRB 1684/4885ENPP2 698/4885 |
| US-12440491-B2 | KRAS G12C inhibitors and methods of using the same | KRAS, NRAS, HRAS | BTK 3723/4885PDGFRB 1684/4885ENPP2 698/4885 |
| US-20220395504-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | KRAS, NRAS, HRAS | BTK 3723/4885PDGFRB 1684/4885ENPP2 698/4885 |
| US-20240050430-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | KRAS, NRAS, HRAS | BTK 3723/4885PDGFRB 1684/4885ENPP2 698/4885 |
| US-20130079346-A1 | BENZOIC ACID DERIVATIVES | EIF4EBP1, EIF4E, EIF4A2 | BTK 1701/4885PDGFRB 712/4885ENPP2 3360/4885 |
| US-11766436-B2 | KRAS G12C inhibitors and methods of using the same | KRAS, NRAS, HRAS | BTK 3723/4885PDGFRB 1684/4885ENPP2 698/4885 |
| US-20110092504-A1 | INHIBITORS OF PI3 KINASE | PIK3CA, PIK3R1, PIK3R5 | BTK 31/4885PDGFRB 931/4885ENPP2 580/4885 |
“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.