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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 2/20 | 0.53 |
| ▸ | CDK4 | P11802 | 1/20 | 0.76 |
| ▸ | CCND1 | P24385 | 1/20 | 0.76 |
| ▸ | AHR | P35869 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | GPR3 | P46089 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | KIF11 | P52732 | 12/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30235013 | 0.98 | CDK4 (0.79) | CDK4CCND1AHRALDH1A1GPR3 | |
| SCHEMBL1181826 | 0.98 | CDK4 (0.79) | CDK4CCND1AHRALDH1A1GPR3 | |
| Hydrochloric Acid SCHEMBL6432050 | 0.96 | CDK4 (0.76) | CDK4CCND1AHRALDH1A1GPR3 | |
| Hydrochloric Acid SCHEMBL30404107 | 0.96 | CDK4 (0.76) | CDK4CCND1AHRALDH1A1GPR3 | |
| Sulfamide SCHEMBL28873418 | 0.89 | CDK4 (0.67) | CDK4CCND1AHRALDH1A1GPR3 | |
| SCHEMBL64877 | 0.87 | KIF11 (0.67) | CDK4CCND1AHRALDH1A1GPR3 | |
| SCHEMBL29683901 | 0.87 | KIF11 (0.67) | CDK4CCND1AHRALDH1A1GPR3 | |
| SCHEMBL6325907 | 0.86 | CDK4 (0.69) | CDK4CCND1AHRALDH1A1GPR3 | |
| SCHEMBL29414082 | 0.86 | CDK4 (1.00) | CDK4CCND1AHRALDH1A1GPR3 | |
| SCHEMBL6689351 | 0.86 | CDK4 (1.00) | CDK4CCND1AHRALDH1A1GPR3 |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10183011-B2 | Anti-depression compounds | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2019-01-22 | — | — | US | disclosed |
| US-10172827-B2 | Pro-neurogenic compounds | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2019-01-08 | — | — | US | disclosed |
| US-20180318255-A1 | Pro-Neurogenic Compounds | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM | 2018-11-08 | — | — | US | disclosed |
| EP-2385829-B1 | PRO-NEUROGENIC COMPOUNDS | UNIV TEXAS (US) | 2018-08-01 | — | — | EP | disclosed |
| US-20180127367-A1 | Pro-Neurogenic Compounds | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2018-05-10 | — | — | US | disclosed |
| US-9962368-B2 | Pro-neurogenic compounds | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2018-05-08 | — | — | US | disclosed |
| US-9884820-B2 | Pro-neurogenic compounds | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2018-02-06 | — | — | US | disclosed |
| EP-2590647-B1 | PRO-NEUROGENIC COMPOUNDS | UNIV TEXAS (US) | 2017-11-08 | — | — | EP | disclosed |
| US-20170157092-A1 | Anti-depression Compounds | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM | 2017-06-08 | — | — | US | disclosed |
| US-9616048-B2 | Anti-depression compounds | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-04-11 | — | — | US | disclosed |
| EP-2590647-A2 | PRO-NEUROGENIC COMPOUNDS | Board of Regents of the University of Texas System (US) | 2013-05-15 | — | — | EP | disclosed |
| US-20130040977-A1 | Pro-Neurogenic Compounds | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM | 2013-02-14 | — | — | US | disclosed |
| US-8362277-B2 | Pro-neurogenic compounds | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2013-01-29 | — | — | US | disclosed |
| US-20120022096-A1 | PRO-NEUROGENIC COMPOUNDS | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-01-26 | — | — | US | disclosed |
| WO-2012006419-A2 | PRO-NEUROGENIC COMPOUNDS | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-01-12 | — | — | WO | disclosed |
| EP-2385829-A1 | PRO-NEUROGENIC COMPOUNDS | Board of Regents of the University of Texas System (US) | 2011-11-16 | — | — | EP | disclosed |
| US-8039041-B2 | Electroluminescent devices with electrode protection | CAMBRIDGE DISPLAY TECHNOLOGY, LTD. (GB) | 2011-10-18 | — | — | US | disclosed |
| US-20110015217-A1 | Pro-Neurogenic Compounds | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2011-01-20 | — | — | US | disclosed |
| US-20110003836-A1 | Pro-Neurogenic Compounds | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2011-01-06 | — | — | US | disclosed |
| WO-2010081115-A1 | PRO-NEUROGENIC COMPOUNDS | UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) | 2010-07-15 | — | — | 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-20120022096-A1 | PRO-NEUROGENIC COMPOUNDS | BDNF, GAP43, DCX | PARP1 279/4885CDK4 542/4885CCND1 204/4885 |
| US-10172827-B2 | Pro-neurogenic compounds | DCX, GAP43, BDNF | PARP1 2809/4885CDK4 442/4885CCND1 572/4885 |
| US-20180127367-A1 | Pro-Neurogenic Compounds | BDNF, GAP43, DCX | PARP1 279/4885CDK4 542/4885CCND1 204/4885 |
| US-20180318255-A1 | Pro-Neurogenic Compounds | BDNF, GAP43, DCX | PARP1 279/4885CDK4 542/4885CCND1 204/4885 |
| US-20110015217-A1 | Pro-Neurogenic Compounds | DCX, GAP43, BDNF | PARP1 2809/4885CDK4 442/4885CCND1 572/4885 |
| US-10183011-B2 | Anti-depression compounds | BDNF, DCX, GAP43 | PARP1 320/4885CDK4 392/4885CCND1 110/4885 |
| US-20130040977-A1 | Pro-Neurogenic Compounds | BDNF, GAP43, DCX | PARP1 279/4885CDK4 542/4885CCND1 204/4885 |
| US-20110003836-A1 | Pro-Neurogenic Compounds | DCX, GAP43, BDNF | PARP1 2814/4885CDK4 444/4885CCND1 543/4885 |
| US-20170157092-A1 | Anti-depression Compounds | BDNF, DCX, GAP43 | PARP1 320/4885CDK4 392/4885CCND1 110/4885 |
“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.