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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.41 |
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.36 |
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | PEPD | P12955 | 1/20 | 0.33 |
| ▸ | INPPL1 | O15357 | 2/20 | 0.30 |
| ▸ | INPP5A | Q14642 | 2/20 | 0.30 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.30 |
| ▸ | INPP5B | P32019 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL5802364 | 0.97 | SLC34A1 (0.50) | SLC34A1FDPSBLMTDP1KDM4E | |
| SCHEMBL10932913 | 0.97 | SLC34A1 (0.41) | SLC34A1FDPSBLMTDP1KDM4E | |
| SCHEMBL10934949 | 0.97 | SLC34A1 (0.41) | SLC34A1FDPSBLMTDP1KDM4E | |
| Potassium Ion SCHEMBL10936563 | 0.97 | SLC34A1 (0.50) | SLC34A1FDPSBLMTDP1KDM4E | |
| SCHEMBL5802229 | 0.87 | SLC34A1 (0.39) | SLC34A1FDPSBLMTDP1KDM4E | |
| SCHEMBL309434 | 0.84 | FDPS (0.54) | SLC34A1FDPSBLMTDP1KDM4E | |
| SCHEMBL9199747 | 0.81 | FDPS (0.50) | SLC34A1FDPSBLMTDP1CA4 | |
| Potassium SCHEMBL6319316 | 0.81 | FDPS (0.50) | SLC34A1FDPSBLMTDP1CA4 | |
| Ammonia Solution, Strong SCHEMBL3872480 | 0.81 | FDPS (0.50) | SLC34A1FDPSBLMTDP1CA4 | |
| SCHEMBL9016987 | 0.81 | FDPS (0.50) | SLC34A1FDPSBLMTDP1CA4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006057857-A2 | COMPOSITIONS AND METHODS FOR WHITENING, MINERALIZING AND/OR FLUORIDATING CALCIFIED TISSUES | AMERICAN DENTAL ASSOCIATION FOUNDATION (US) | 2006-06-01 | — | — | WO | claimed |
| WO-2006057727-A1 | COMPOSITIONS AND METHODS FOR WHITENING, MINERALIZING AND/OR FLUORIDATING CALCIFIED TISSUES | AMERICAN DENTAL ASSOCIATION FOUNDATION (US) | 2006-06-01 | — | — | WO | claimed |
| US-20060110340-A1 | Compositions and methods for whitening, mineralizing and/or fluoridating calcified tissues | AMERICAN DENTAL ASSOCIATION FOUNDATION (US) | 2006-05-25 | — | — | US | claimed |
| WO-2006057857-A2 | COMPOSITIONS AND METHODS FOR WHITENING, MINERALIZING AND/OR FLUORIDATING CALCIFIED TISSUES | AMERICAN DENTAL ASSOCIATION FOUNDATION (US) | 2006-06-01 | — | — | WO | disclosed |
| US-20060110340-A1 | Compositions and methods for whitening, mineralizing and/or fluoridating calcified tissues | AMERICAN DENTAL ASSOCIATION FOUNDATION (US) | 2006-05-25 | — | — | US | disclosed |