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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.40 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.40 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.40 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 6/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4442321 | 0.79 | CA1 (0.47) | CA1CA2CA9TRPV6ORAI1 | |
| SCHEMBL646925 | 0.78 | IDO1 (0.36) | ALDH1A1TSHRIDO1CES2 | |
| SCHEMBL28321109 | 0.76 | TRPV6 (0.52) | CA1CA2CA9TRPV6ORAI1 | |
| SCHEMBL646662 | 0.76 | TRPV6 (0.52) | CA1CA2CA9TRPV6ORAI1 | |
| Lithium Ion SCHEMBL29870237 | 0.74 | IDO1 (0.36) | ALDH1A1TSHRIDO1CES2 | |
| Ammonia Solution, Strong SCHEMBL29013463 | 0.74 | TRPV6 (0.50) | CA1CA2CA9TRPV6ORAI1 | |
| SCHEMBL7103574 | 0.74 | TRPV6 (0.50) | CA1CA2CA9TRPV6ORAI1 | |
| SCHEMBL1720744 | 0.71 | KIF11 (0.63) | CA1CA2CA9KIF11MAOB | |
| SCHEMBL30462559 | 0.71 | KIF11 (0.53) | CA1CA2CA9TRPV6ORAI1 | |
| SCHEMBL1685383 | 0.71 | CA1 (0.52) | CA1CA2CA9TRPV6ORAI1 |
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-1006119-B1 | NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND LATENT PHOTOPOLYMERIZATION INITIATOR | AUTEX INC (JP) | 2003-09-03 | — | — | EP | disclosed |