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 | |
|---|---|---|---|---|
| ▸ | MMP7 known ✓ | P09237 | 1/20 | 1.00 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 1.00 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 1.00 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 1.00 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 1.00 |
| ▸ | MEN1 known ✓ | O00255 | 7/20 | 0.68 |
| ▸ | THRB known ✓ | P10828 | 5/20 | 0.66 |
| ▸ | MMP2 | P08253 | 1/20 | 1.00 |
| ▸ | MMP3 | P08254 | 1/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 11/20 | 0.98 |
| ▸ | USP2 | O75604 | 6/20 | 0.98 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.98 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.98 |
| ▸ | TSHR | P16473 | 1/20 | 0.98 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.97 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.97 |
| ▸ | RECQL | P46063 | 8/20 | 0.92 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.92 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.92 |
| ▸ | HPGD | P15428 | 7/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL30708253 | 0.99 | TDP1 (1.00) | MMP2MMP3MMP7MMP8ADORA1 | |
| SCHEMBL29399816 | 0.99 | TDP1 (1.00) | MMP2MMP3MMP7MMP8ADORA1 | |
| SCHEMBL29388088 | 0.99 | TDP1 (1.00) | MMP2MMP3MMP7MMP8ADORA1 | |
| SCHEMBL29800447 | 0.99 | TDP1 (1.00) | MMP2MMP3MMP7MMP8ADORA1 | |
| SCHEMBL19270298 | 0.99 | TDP1 (1.00) | MMP2MMP3MMP7MMP8ADORA1 | |
| SCHEMBL21793722 | 0.99 | TDP1 (1.00) | MMP2MMP3MMP7MMP8ADORA1 | |
| SCHEMBL30973258 | 0.98 | TDP1 (0.98) | MMP2MMP3MMP7MMP8ADORA1 | |
| Hydrochloric Acid SCHEMBL30533349 | 0.98 | TDP1 (1.00) | MMP2MMP3MMP7MMP8ADORA1 | |
| Hydrochloric Acid SCHEMBL29763226 | 0.98 | TDP1 (1.00) | MMP2MMP3MMP7MMP8ADORA1 | |
| Alcohol SCHEMBL29362779 | 0.96 | KDM4E (1.00) | MMP2MMP3MMP7MMP8ADORA1 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4661860-A1 | TREATMENT OF NEURODEGENERATIVE DISORDERS WITH DOXYCYCLINE ALONE OR IN COMBINATION WITH LEVODOPA | Biohaven Therapeutics Ltd. (VG) | 2025-12-17 | — | — | EP | disclosed |
| WO-2025125508-A1 | CORTEXOLONE-17ΑLPHA-PROPIONATE COMBINATIONS FOR TREATING ACNE | CASSIOPEA S.P.A. (IT) | 2025-06-19 | — | — | WO | disclosed |
| US-20250161334-A1 | Method Of Treating, Reducing, Or Alleviating A Medical Condition In A Patient | PEYMAN GHOLAM A (US) | 2025-05-22 | — | — | US | disclosed |
| EP-4185343-B1 | SYSTEM AND METHOD FOR TREATMENT OF BONE | SHANKAR RAJESWARAN M D LLC (US) | 2025-05-07 | — | — | EP | disclosed |
| US-12233205-B2 | Thermal modulation of an inhalable medicament | Breede, Michael Edward (US) | 2025-02-25 | — | — | US | disclosed |
| US-12226478-B2 | Method of treating, reducing, or alleviating a medical condition in a patient | PEYMAN GHOLAM A (US) | 2025-02-18 | — | — | US | disclosed |
| US-20240398581-A1 | SYSTEM AND METHOD FOR TREATMENT OF BONE | SHANKAR RAJESWARAN M.D. LLC | 2024-12-05 | — | — | US | disclosed |
| US-12090065-B2 | System and method for treatment of bone | SHANKAR RAJESWARAN M.D. LLC (US) | 2024-09-17 | — | — | US | disclosed |
| WO-2024167878-A1 | TREATMENT OF NEURODEGENERATIVE DISORDERS WITH DOXYCYCLINE ALONE OR IN COMBINATION WITH LEVODOPA | BIOHAVEN THERAPEUTICS LTD. (VG) | 2024-08-15 | — | — | WO | disclosed |
| US-20230338520-A1 | Method Of Treating, Reducing, Or Alleviating A Medical Condition In A Patient | PEYMAN GHOLAM A (US) | 2023-10-26 | — | — | US | disclosed |
| US-11648261-B2 | Method of treating, reducing, or alleviating a medical condition in a patient | PEYMAN GHOLAM A (US) | 2023-05-16 | — | — | US | disclosed |
| CN-115835854-A | Method for improving foaming property and foam quality of detergent composition, and method for cleaning skin or hair | 株式会社ADEKA | 2023-03-21 | — | — | CN | disclosed |
| EP-4126219-A2 | PLASMA KALLIKREIN INHIBITORS AND USES THEREOF FOR TREATING ACUTE RESPIRATORY DISTRESS SYNDROME | Takeda Pharmaceutical Company Limited (JP) | 2023-02-08 | — | — | EP | disclosed |
| EP-3609478-B1 | NANOSYSTEMS COMPRISING SILVER AND ANTIBIOTICS AND THEIR USE FOR THE TREATMENT OF BACTERIAL INFECTIONS | LABORATORIOS ENOSAN S L (ES) | 2022-10-05 | — | — | EP | disclosed |
| US-11443836-B2 | System and method for the recording of patient notes | MODERNIZING MEDICINE, INC. (US) | 2022-09-13 | — | — | US | disclosed |
| US-20220202933-A1 | Method Of Treating, Reducing, Or Alleviating A Medical Condition In A Patient | PEYMAN GHOLAM A (US) | 2022-06-30 | — | — | US | disclosed |
| US-11304974-B2 | Nanosystems comprising silver and antibiotics and their use for the treatment of bacterial infections | LABORATORIOS ENOSAN, S.L. (ES) | 2022-04-19 | — | — | US | disclosed |
| WO-2022047545-A1 | NOVEL USES OF ANTI-INFECTIVE AGENT AND/OR EMBOLIC AGENTS IN MINIMALLY INVASIVE PROCEDURES | IP Cornerstone Pty Ltd (AU) | 2022-03-10 | — | — | WO | disclosed |
| US-20220023318-A1 | System and Method for Treatment of Bone | SHANKAR RAJESWARAN M.D. LLC | 2022-01-27 | — | — | US | disclosed |
| WO-2022020264-A1 | SYSTEM AND METHOD FOR TREATMENT OF BONE | SHANKAR RAJESWARAN M.D. LLC (US) | 2022-01-27 | — | — | WO | disclosed |