Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Chelidamic Acid. 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 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | HCAR1 | Q9BXC0 | 3/20 | 0.38 |
| ▸ | CYTH3 | O43739 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Chelidamic Acid SCHEMBL743778 | 0.97 | ALOX15 (0.64) | ALOX15TSHRHIF1ATDP1KDM4E | |
| Chelidamic Acid SCHEMBL794359 | 0.95 | ALOX15 (0.61) | ALOX15TSHRHIF1ATDP1KDM4E | |
| Chelidamic Acid SCHEMBL31146805 | 0.95 | ALOX15 (0.61) | ALOX15TSHRHIF1ATDP1KDM4E | |
| SCHEMBL11381523 | 0.85 | ALOX15 (0.50) | ALOX15TSHRHIF1ATDP1KDM4E | |
| SCHEMBL1999536 | 0.81 | CA12 (0.48) | ALOX15TSHRHIF1ATDP1KDM4E | |
| SCHEMBL6509907 | 0.78 | ALOX15 (0.67) | ALOX15TSHRHIF1ATDP1KDM4E | |
| SCHEMBL8213827 | 0.77 | MLLT1 (0.43) | ALOX15TSHRHIF1AHCAR2ALDH1A1 | |
| SCHEMBL12161238 | 0.77 | CYP1A2 (0.56) | ALOX15TSHRHIF1ATDP1KDM4E | |
| SCHEMBL336311 | 0.76 | TSHR (1.00) | ALOX15TSHRHIF1ATDP1KDM4E | |
| SCHEMBL2705265 | 0.76 | ALOX15 (0.56) | ALOX15TSHRHIF1ATDP1KDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109970778-B | Metal organic structure and method for producing same | 丰田自动车株式会社 | 2021-07-27 | — | — | CN | disclosed |
| US-11008347-B2 | Metal-organic framework and method of producing the same | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2021-05-18 | — | — | US | disclosed |
| US-20190194232-A1 | METAL-ORGANIC FRAMEWORK AND METHOD OF PRODUCING THE SAME | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2019-06-27 | — | — | US | disclosed |
| US-10184052-B2 | Near infrared radiation-absorbing composition, near infrared radiation cut-off filter and production method therefor, and camera module and production method therefor | FUJIFILM CORPORATION (JP) | 2019-01-22 | — | — | US | disclosed |
| US-20160304730-A1 | NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR | FUJIFILM CORPORATION (JP) | 2016-10-20 | — | — | US | disclosed |
| EP-2424860-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | MSD K.K. (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20120028970-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | MSD K.K. (JP) | 2012-02-02 | — | — | US | disclosed |
| WO-2010126163-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-11-04 | — | — | WO | disclosed |
| EP-0046653-B1 | METHOD FOR CONVERTING CARBOXYLIC ACID GROUPS TO TRICHLOROMETHYL GROUPS | THE DOW CHEMICAL COMPANY (US) | 1984-05-16 | — | — | EP | disclosed |
| US-4419514-A | Method for converting carboxylic acid groups to trichloromethyl groups | THE DOW CHEMICAL COMPANY (US) | 1983-12-06 | — | — | US | disclosed |
| EP-0046653-A1 | Method for converting carboxylic acid groups to trichloromethyl groups | THE DOW CHEMICAL COMPANY (US) | 1982-03-03 | — | — | EP | 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 (3 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-20120028970-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | AR, NR5A1, ARL1 | BTK 2281/4885ALOX15 3316/4885TSHR 2273/4885 |
| US-20190194232-A1 | METAL-ORGANIC FRAMEWORK AND METHOD OF PRODUCING THE SAME | TRIM4, MDM4, TRIM59 | BTK 2234/4885ALOX15 3412/4885TSHR 2907/4885 |
| US-11008347-B2 | Metal-organic framework and method of producing the same | TRIM4, MDM4, TRIM59 | BTK 2234/4885ALOX15 3412/4885TSHR 2907/4885 |
“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.