Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.33 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | MMP8 | P22894 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28456896 | 1.00 | CA2 (0.36) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL6472590 | 1.00 | CA2 (0.36) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL7792605 | 0.97 | CA2 (0.32) | CA2CA1MMP1MMP2MMP9 | |
| Zinc Ion SCHEMBL20484781 | 0.95 | CA2 (0.33) | CA2CA1MMP1MMP2MMP9 | |
| Potassium Ion SCHEMBL17291818 | 0.92 | CA1 (0.31) | CA2CA1MMP1MMP2MMP9 | |
| Lithium Ion SCHEMBL18243187 | 0.92 | CA1 (0.31) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL18243905 | 0.89 | — | — | |
| SCHEMBL1506568 | 0.89 | — | — | |
| SCHEMBL2497382 | 0.86 | — | — | |
| Lithium Ion SCHEMBL18244106 | 0.83 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118994154-A | C3 fluoroalkylation 4H-pyrido [1,2-a ] pyrimidine-4-ketone derivative and synthesis method thereof | 山西医科大学 | 2024-11-22 | — | — | CN | disclosed |
| CN-115160292-B | Synthesis method of 3-perfluoroalkyl thioflavone | 河南师范大学 | 2024-03-01 | — | — | CN | disclosed |
| CN-114539197-B | Synthesis method of 3-fluoroalkyl substituted chromone derivative | 浙江工业大学 | 2023-05-30 | — | — | CN | disclosed |
| CN-115160292-A | Synthesis method of 3-perfluoroalkyl thioflavone | 河南师范大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-114539197-A | Synthetic method of 3-fluoroalkyl substituted chromone derivative | 浙江工业大学 | 2022-05-27 | — | — | CN | disclosed |
| CN-110023402-B | Ethylene-tetrafluoroethylene copolymer dispersions and their coated articles | 3M创新有限公司 | 2022-05-10 | — | — | CN | disclosed |
| CN-112759591-B | Synthetic method of perfluoroalkyl-substituted polycyclic quinazolinone derivative | 浙江工业大学 | 2022-03-01 | — | — | CN | disclosed |
| CN-112759591-A | Synthetic method of perfluoroalkyl-substituted polycyclic quinazolinone derivative | 浙江工业大学 | 2021-05-07 | — | — | CN | disclosed |
| WO-2005121060-A1 | PROCESS FOR THE SYNTHESIS OF POLYFLUOROCARBOXYLIC ACIDS | ARKEMA (FR) | 2005-12-22 | — | — | WO | disclosed |