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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 SCHEMBL8330745 | 0.95 | CTSA (0.39) | CTSAACHEALDH1A1L3MBTL1 | |
| Phosphorylisopropane SCHEMBL31213517 | 0.73 | CTSA (0.50) | CTSAACHEALDH1A1L3MBTL1 | |
| SCHEMBL4096902 | 0.72 | CTSA (0.43) | CTSAACHEALDH1A1L3MBTL1 | |
| SCHEMBL7572066 | 0.72 | — | — | |
| Phosphorylisopropane SCHEMBL31314215 | 0.71 | CTSA (0.48) | CTSAACHEALDH1A1L3MBTL1 | |
| Phosphorylisopropane SCHEMBL7157553 | 0.71 | CTSA (0.48) | CTSAACHEALDH1A1L3MBTL1 | |
| Phosphorylisopropane SCHEMBL28777354 | 0.71 | CTSA (0.48) | CTSAACHEALDH1A1L3MBTL1 | |
| SCHEMBL30579940 | 0.71 | CTSA (0.48) | CTSAACHEALDH1A1L3MBTL1 | |
| Phosphorylisopropane SCHEMBL28777332 | 0.71 | — | — | |
| SCHEMBL11658228 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948505-A1 | HYDROGENATION OF MIXTURES OF CYANOPHOSPHONATES AND GLYCINE | MONSANTO COMPANY (US) | 1999-10-13 | — | — | EP | disclosed |
| US-5859290-A | Hydrogenation of cyanophosphonate derivatives in the presence of a glycine derivative | MONSANTO COMPANY (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1998029421-A1 | HYDROGENATION OF MIXTURES OF CYANOPHOSPHONATES AND GLYCINE | MONSANTO COMPANY (US) | 1998-07-09 | — | — | WO | disclosed |