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 | 0.41 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.41 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.41 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.41 |
| ▸ | TYMS known ✓ | P04818 | 1/20 | 0.39 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL31134771 | 1.00 | DUSP5 (0.50) | DUSP5NR4A1GAAJAK2RPS6KA3 | |
| SCHEMBL21240725 | 0.96 | DUSP5 (0.46) | DUSP5NR4A1GAAJAK2RPS6KA3 | |
| SCHEMBL15172852 | 0.82 | CA2 (0.61) | NR4A1GAAJAK2RPS6KA3MELK | |
| SCHEMBL11429350 | 0.81 | DUSP5 (0.68) | DUSP5NR4A1HTR6 | |
| SCHEMBL16628527 | 0.81 | DUSP5 (0.59) | DUSP5NR4A1GAAKMT2ATDP1 | |
| Sulfuric Acid SCHEMBL11169213 | 0.80 | TTR (0.47) | DUSP5NR4A1GAAJAK2RPS6KA3 | |
| SCHEMBL29360969 | 0.78 | TTR (0.58) | NR4A1GAAJAK2RPS6KA3MELK | |
| SCHEMBL179823 | 0.78 | TTR (0.58) | NR4A1GAAJAK2RPS6KA3MELK | |
| SCHEMBL11429445 | 0.78 | NR4A1 (0.69) | DUSP5NR4A1GAACA9CA1 | |
| SCHEMBL29516471 | 0.78 | NR4A1 (0.69) | DUSP5NR4A1GAACA9CA1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7781589-B2 | Quantitative method of determining beryllium or a compound thereof in a sample | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2010-08-24 | — | — | US | disclosed |
| US-20070141715-A1 | Quantitative method of determining beryllium or a compound thereof in a sample | LOS ALAMOS NATIONAL SECURITY, LLC | 2007-06-21 | — | — | US | disclosed |
| US-7129093-B2 | Quantitative method of determining beryllium or a compound thereof in a sample | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2006-10-31 | — | — | US | disclosed |
| WO-2005103683-A1 | QUANTITATIVE METHOD OF DETERMINING BERYLLIUM OR A COMPOUND THEREOF IN A SAMPLE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-11-03 | — | — | WO | disclosed |
| US-20050221498-A1 | Quantitative method of determining beryllium or a compound thereof in a sample | LOS ALAMOS NATIONAL SECURITY, LLC | 2005-10-06 | — | — | US | disclosed |
| US-5231417-A | Black trisazo dye | CANON KABUSHIKI KAISHA (JP) | 1993-07-27 | — | — | US | disclosed |
| EP-0381228-B1 | INK, AND RECORDING PROCESS USING THE SAME | CANON KABUSHIKI KAISHA (JP) | 1993-05-05 | — | — | EP | disclosed |
| US-5110356-A | Colorfast black water-based ink | CANON KABUSHIKI KAISHA (JP) | 1992-05-05 | — | — | US | disclosed |
| EP-0381228-A2 | Ink, and recording process using the same | CANON KABUSHIKI KAISHA (JP) | 1990-08-08 | — | — | EP | disclosed |
| US-4001313-A | MANUFACTURE OF AROMATIC AMINO COMPOUNDS | OSAKA CITY (JA) | 1977-01-04 | — | — | US | disclosed |