Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Caldaret. 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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 14/20 | 0.48 |
| ▸ | HTR1A known ✓ | P08908 | 13/20 | 0.48 |
| ▸ | HTR6 known ✓ | P50406 | 4/20 | 0.44 |
| ▸ | ADRB1 known ✓ | P08588 | 5/20 | 0.44 |
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.43 |
| ▸ | HTR1B known ✓ | P28222 | 2/20 | 0.43 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.43 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.43 |
| ▸ | HTR7 known ✓ | P34969 | 2/20 | 0.43 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.43 |
| ▸ | HTR5A known ✓ | P47898 | 2/20 | 0.43 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.43 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.42 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Caldaret SCHEMBL29711318 | 1.00 | ALDH1A1 (0.51) | ALDH1A1HTR3AHTR1AHTR6ADRB1 | |
| Caldaret SCHEMBL1650574 | 0.98 | ALDH1A1 (0.52) | ALDH1A1HTR3AHTR1AHTR6ADRB1 | |
| Caldaret SCHEMBL3135751 | 0.97 | ALDH1A1 (0.51) | ALDH1A1HTR3AHTR1AHTR6ADRB1 | |
| Caldaret SCHEMBL3139412 | 0.97 | ALDH1A1 (0.51) | ALDH1A1HTR3AHTR1AHTR6ADRB1 | |
| Caldaret SCHEMBL3139464 | 0.90 | ALDH1A1 (0.45) | ALDH1A1HTR3AHTR1AHTR6ADRB1 | |
| SCHEMBL8636364 | 0.87 | HTR1A (0.49) | ALDH1A1HTR3AHTR1AHTR6ADRB1 | |
| SCHEMBL22542102 | 0.85 | ALDH1A1 (0.54) | ALDH1A1HTR3AHTR1AHTR6ADRB1 | |
| Caldaret SCHEMBL3139404 | 0.84 | ALDH1A1 (0.52) | ALDH1A1HTR3AHTR1AHTR6ADRB1 | |
| SCHEMBL4725678 | 0.82 | ALDH1A1 (0.51) | ALDH1A1HTR3AHTR1AHTR6ADRB1 | |
| Water SCHEMBL4080356 | 0.82 | HTR6 (0.47) | HTR3AHTR1AHTR6ADRB1HTR2A |
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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7652017-B2 | Remedies and/or preventives for nervous system disorders | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-01-26 | — | — | US | claimed |
| US-20090318461-A1 | CRYSTALLINE POLYMORPHISM OF 5-METHYL-2-(PIPERAZIN-1-YL) BENZENESULFONIC ACID | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-12-24 | — | — | US | claimed |
| CN-100496495-C | Remedies and/or preventives for diabetic ischemic heart diseases | MITSUBISHI PHARMA CORP (JP) | 2009-06-10 | — | — | CN | claimed |
| CN-100486574-C | Remedies and/or preventives for nervous system disorders | MITSUBISHI PHARMACEUTICALS INC (JP) | 2009-05-13 | — | — | CN | claimed |
| EP-2050741-A1 | CRYSTALLINE POLYMORPHISM OF 5-METHYL-2-(PIPERAZIN-1-YL)BENZENESULFONIC ACID | Mitsubishi Tanabe Pharma Corporation (JP) | 2009-04-22 | — | — | EP | claimed |
| US-20080114000-A1 | Suppressor of excess accumulation of intracellular sodium ions | SATOU NAOYA | 2008-05-15 | — | — | US | claimed |
| US-20070270409-A1 | Medicament for Preventing and/or Treating Ischemic Cardiovascular Disease | MITSUBISHI PHARMA CORPORATION (JP) | 2007-11-22 | — | — | US | claimed |
| CN-1946396-A | Medicine for prevention and/or treatment of ischemic circulatory disease | MITSUBISHI PHARMA CORP (JP) | 2007-04-11 | — | — | CN | claimed |
| EP-1723955-A1 | MEDICINE FOR PREVENTION AND/OR TREATMENT OF ISCHEMIC CIRCULATORY DISEASE | Mitsubishi Pharma Corporation (JP) | 2006-11-22 | — | — | EP | claimed |
| US-20060167013-A1 | Inhibitors for excessive accumulation of sodium ion in cells | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2006-07-27 | — | — | US | claimed |
| EP-1249245-B1 | REMEDIES AND/OR PREVENTIVES FOR NERVOUS SYSTEM DISORDERS | MITSUBISHI PHARMA CORP (JP) | 2004-12-15 | — | — | EP | claimed |
| CN-1533292-A | Medicament inhititing sodium/calcium exchange system | 三菱制药株式会社 | 2004-09-29 | — | — | CN | claimed |
| EP-1419775-A1 | PHARMACEUTICAL PREPARATIONS CONTAINING AMINOBENZENE-SULFONIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT | Mitsubishi Pharma Corporation (JP) | 2004-05-19 | — | — | EP | claimed |
| CN-1496261-A | Remedies and/or preventives for diabetic ischemic heart diseases | 三菱制药株式会社 | 2004-05-12 | — | — | CN | claimed |
| EP-1409080-A1 | MEDICAMENT INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM | Mitsubishi Pharma Corporation (JP) | 2004-04-21 | — | — | EP | claimed |
| EP-1374868-A1 | REMEDIES AND/OR PREVENTIVES FOR DIABETIC ISCHEMIC HEART DISEASES | Mitsubishi Pharma Corporation (JP) | 2004-01-02 | — | — | EP | claimed |
| CN-1434724-A | Remedies and/or preventives for nervous system disorders | MITSUBISHI PHARMACEUTICALS INC (JP) | 2003-08-06 | — | — | CN | claimed |
| US-20030114427-A1 | Remedies and/or preventives for nervous system disorders | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2003-06-19 | — | — | US | claimed |
| WO-2003009897-A1 | MEDICAMENT INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM | MITSUBISHI PHARMA CORPORATION (JP) | 2003-02-06 | — | — | WO | claimed |
| EP-1249245-A1 | REMEDIES AND/OR PREVENTIVES FOR NERVOUS SYSTEM DISORDERS | Mitsubishi Pharma Corporation (JP) | 2002-10-16 | — | — | EP | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 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-20090318461-A1 | CRYSTALLINE POLYMORPHISM OF 5-METHYL-2-(PIPERAZIN-1-YL) BENZENESULFONIC ACID | KDM5C, KDM5A, NT5C3B | HTR3A 303/4885HTR1A 958/4885HTR6 1253/4885 |
| US-20070270409-A1 | Medicament for Preventing and/or Treating Ischemic Cardiovascular Disease | FABP3, TNNI3, TNNT2 | HTR3A 3580/4885HTR1A 3206/4885HTR6 1739/4885 |
| US-20080114000-A1 | Suppressor of excess accumulation of intracellular sodium ions | ATP2A1, ATP2A2, ATP2A3 | HTR3A 4558/4885HTR1A 4487/4885HTR6 3678/4885 |
| US-20030114427-A1 | Remedies and/or preventives for nervous system disorders | CHERP, ATP2A1, ATP2A3 | HTR3A 2857/4885HTR1A 2249/4885HTR6 1203/4885 |
| US-20060167013-A1 | Inhibitors for excessive accumulation of sodium ion in cells | TNNI3, ATP2A1, SLC8B1 | HTR3A 4644/4885HTR1A 4624/4885HTR6 3535/4885 |
“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.