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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.46 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.39 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 6/20 | 0.60 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14066807 | 0.86 | TSHR (0.64) | TSHRCA1CA2CA9CA5A | |
| SCHEMBL28626490 | 0.86 | TSHR (0.64) | TSHRCA1CA2CA9CA5A | |
| SCHEMBL4881844 | 0.85 | TSHR (0.62) | TSHRCA1CA2CA9CA5A | |
| SCHEMBL20566038 | 0.84 | TSHR (0.45) | TSHRCA1CA2CA9CA5A | |
| SCHEMBL5599951 | 0.82 | TSHR (0.89) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL2809758 | 0.82 | TSHR (0.89) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| Potassium Ion SCHEMBL39638 | 0.80 | ALDH1A1 (0.65) | TSHRCA1CA2CA9CA5A | |
| SCHEMBL28452880 | 0.80 | TSHR (0.62) | TSHRCA1CA2CA9CA5A | |
| SCHEMBL11327872 | 0.78 | ALDH1A1 (0.68) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL11829729 | 0.78 | THRB (0.48) | TSHRCA1CA2CA9CA5A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3407361-A1 | REDOX MELTS FORMED BY COPPER (I)/(II) COMPLEXES AS CHARGE TRANSFER AND CHARGE STORAGE MATERIALS | Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) | 2018-11-28 | — | — | EP | disclosed |