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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.35 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.35 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.34 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.69 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11429445 | 1.00 | NR4A1 (0.69) | NR4A1AURKAAURKBTTRDUSP5 | |
| SCHEMBL30913230 | 0.90 | NR4A1 (0.66) | NR4A1AURKAAURKBTTRDUSP5 | |
| SCHEMBL28747694 | 0.85 | NR4A1 (0.94) | NR4A1AURKAAURKBTTRDUSP5 | |
| SCHEMBL29532393 | 0.81 | NR4A1 (0.51) | NR4A1AURKAAURKBTTRDUSP5 | |
| SCHEMBL6615466 | 0.81 | NR4A1 (0.51) | NR4A1AURKAAURKBTTRDUSP5 | |
| SCHEMBL2951288 | 0.79 | TTR (0.63) | NR4A1TTRALDH1A1CYP3A4HPGD | |
| SCHEMBL7179151 | 0.79 | NR4A1 (0.56) | NR4A1TTRTHRBALDH1A1CYP3A4 | |
| SCHEMBL30742565 | 0.79 | NR4A1 (0.56) | NR4A1TTRTHRBALDH1A1CYP3A4 | |
| SCHEMBL2093555 | 0.79 | NR4A1 (0.56) | NR4A1TTRTHRBALDH1A1CYP3A4 | |
| SCHEMBL29354786 | 0.79 | NR4A1 (0.56) | NR4A1TTRTHRBALDH1A1CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119114152-A | Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent | 株式会社ACENET | 2024-12-13 | — | — | CN | disclosed |
| CN-110769931-B | Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent | 株式会社ACENET | 2024-09-17 | — | — | CN | disclosed |
| CN-116322332-A | Antipathogenic agent, antibacterial agent, antiviral agent, pathogen treatment device, method for producing antipathogenic agent, antibacterial method, virus inactivation method, and pathogen treatment method | 株式会社ACENET | 2023-06-23 | — | — | CN | disclosed |
| CN-116157109-A | Oral pharmaceutical preparation | 国立大学法人大阪大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-114501996-A | Chemical, method for producing chemical, and method for purifying water | 株式会社ACENET | 2022-05-13 | — | — | CN | disclosed |
| WO-2022075451-A1 | ANTIPATHOGENIC DRUG, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN PROCESSING DEVICE, METHOD FOR PRODUCING ANTIPATHOGENIC DRUG, ANTIBACTERIAL METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN PROCESSING METHOD | 株式会社エースネット | 2022-04-14 | — | — | WO | disclosed |