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 | 0.43 |
| ▸ | TYMS known ✓ | P04818 | 1/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.37 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.37 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.36 |
| ▸ | SLC7A11 | Q9UPY5 | 2/20 | 0.47 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | GLB1 | P16278 | 1/20 | 0.43 |
| ▸ | CHAT | P28329 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30736514 | 1.00 | SLC7A11 (0.47) | SLC7A11FTOTHRBALDH1A1CYP3A4 | |
| SCHEMBL11815812 | 0.81 | TTR (0.61) | SLC7A11THRBALDH1A1HPGDALOX12 | |
| SCHEMBL26638150 | 0.80 | TTR (0.59) | SLC7A11THRBALDH1A1HPGDALOX12 | |
| SCHEMBL6690494 | 0.80 | THRB (0.47) | SLC7A11THRBALDH1A1CYP3A4HPGD | |
| SCHEMBL29385780 | 0.80 | THRB (0.47) | SLC7A11THRBALDH1A1CYP3A4HPGD | |
| SCHEMBL127422 | 0.80 | THRB (0.47) | SLC7A11THRBALDH1A1CYP3A4HPGD | |
| Water SCHEMBL3919437 | 0.78 | THRB (0.46) | SLC7A11THRBALDH1A1CYP3A4HPGD | |
| Water SCHEMBL30418232 | 0.78 | THRB (0.46) | SLC7A11THRBALDH1A1CYP3A4HPGD | |
| SCHEMBL2951288 | 0.77 | TTR (0.63) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL11322622 | 0.75 | NR4A1 (0.47) | THRBALDH1A1CYP3A4HPGDALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230358677-A1 | Reversible Excited-State Photoacids and Photobases as Dynamic Fluorescence Sensors of Protonic Species | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2023-11-09 | — | — | US | disclosed |