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 | 4/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.43 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.43 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.34 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.33 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL105204 | 0.95 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27488332 | 0.93 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28053489 | 0.93 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| Magnesium Chloride Anhydrous SCHEMBL28224231 | 0.87 | CA1 (0.40) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27493759 | 0.87 | CA1 (0.40) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29242304 | 0.84 | CA1 (0.37) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8047364 | 0.78 | ALDH1A3 (0.39) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4820299 | 0.78 | ESR2 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2893194 | 0.77 | NQO1 (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7688834 | 0.77 | CA12 (0.33) | CA1CA2CA7CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-88101911-A | PREPARATION OF SUBSTITUTED DIARYL PHOSPHIDES | — | 1988-10-26 | — | — | CN | claimed |
| CN-1019976-C | Preparation of substituted diaryl phosphides | SHELL INT RESEARCH (NL) | 1993-03-03 | — | — | CN | disclosed |
| CN-88101911-A | PREPARATION OF SUBSTITUTED DIARYL PHOSPHIDES | — | 1988-10-26 | — | — | CN | disclosed |