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 | 15/20 | 0.55 |
| ▸ | CA2 known ✓ | P00918 | 15/20 | 0.55 |
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.55 |
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.55 |
| ▸ | RECQL | P46063 | 2/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | GLA | P06280 | 1/20 | 0.70 |
| ▸ | HPGD | P15428 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.70 |
| ▸ | BLM | P54132 | 1/20 | 0.70 |
| ▸ | CA9 | Q16790 | 13/20 | 0.55 |
| ▸ | CA7 | P43166 | 4/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.55 |
| ▸ | CA3 | P07451 | 3/20 | 0.55 |
| ▸ | CA6 | P23280 | 3/20 | 0.55 |
| ▸ | CA5A | P35218 | 3/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6886149 | 1.00 | RECQL (0.70) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL6895508 | 1.00 | RECQL (0.70) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL8422674 | 1.00 | RECQL (0.70) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL6894222 | 1.00 | RECQL (0.70) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL8941095 | 0.98 | RECQL (0.67) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL10707055 | 0.96 | RECQL (0.64) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL10707746 | 0.96 | RECQL (0.64) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL3415334 | 0.89 | RECQL (0.52) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL10889239 | 0.89 | RECQL (0.52) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL10989867 | 0.89 | RECQL (0.52) | RECQLTSHRGLAHPGDMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6818117-B2 | ELECTROLYSIS OXIDATION | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2004-11-16 | — | — | US | disclosed |
| US-20030024823-A1 | Electrochemically directed self-assembly of monolayers on metal | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2003-02-06 | — | — | US | disclosed |