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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 8/20 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 7/20 | 0.31 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.30 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 8/20 | 0.43 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.34 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16148879 | 0.92 | TSHR (0.57) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL31031689 | 0.92 | TSHR (0.57) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL28380011 | 0.92 | TSHR (0.57) | TSHRRECQLGLAHPGDMAPK1 | |
| Lithium Ion SCHEMBL1535459 | 0.84 | CA2 (0.38) | TSHRRECQLGLAHPGDMAPK1 | |
| Lithium Ion SCHEMBL28888501 | 0.82 | CA2 (0.58) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL1069871 | 0.79 | CA2 (0.36) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL2750585 | 0.78 | RECQL (0.65) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL4457617 | 0.78 | RECQL (0.46) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL5571140 | 0.76 | CA2 (0.45) | TSHRCA2CA9LPAR3LPAR2 | |
| SCHEMBL6621065 | 0.76 | ALDH1A1 (0.61) | TSHRCA2CA9LPAR3LPAR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010131058-A1 | PRODUCT FOR THE PROTECTION AGAINST HONEYBEE MITES, AND METHOD FOR THE PREPARATION OF THE ACTIVE SUBSTANCE | VON BARTHELDNE ABRI JUDIT (HU) | 2010-11-18 | — | — | WO | disclosed |