Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Diphenylether. 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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.42 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28038032 | 0.82 | CA12 (0.35) | HTTLMNAALDH1A1MAPTCA2 | |
| Diphenylether SCHEMBL6570480 | 0.80 | HTT (0.45) | SOS1HTTLMNASMN1; SMN2TSHR | |
| Allylbenzene SCHEMBL27644975 | 0.79 | CNR2 (0.48) | HTTLMNASMN1; SMN2TSHRALDH1A1 | |
| Allylbenzene SCHEMBL28186941 | 0.79 | CNR2 (0.48) | HTTLMNASMN1; SMN2TSHRALDH1A1 | |
| Diphenylether SCHEMBL4275226 | 0.78 | LTA4H (0.63) | PABPC1EIF4HCTDSP1SOS1HTT | |
| Diphenylether SCHEMBL4275227 | 0.78 | LTA4H (0.63) | PABPC1EIF4HCTDSP1SOS1HTT | |
| O-Xylene SCHEMBL17986410 | 0.78 | TSHR (0.39) | HTTLMNASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL29055851 | 0.77 | CA2 (0.36) | HTTLMNASMN1; SMN2TSHRALDH1A1 | |
| Tetraphenylphosphonium SCHEMBL2295922 | 0.76 | CA12 (0.35) | HTTLMNATSHRALDH1A1MAPT | |
| Diphenylether SCHEMBL27720609 | 0.76 | TSHR (0.52) | PABPC1EIF4HCTDSP1SOS1HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6811243-B2 | Priming fluid for ink jet printheads | E. I. DU PONT DE NEMOURS AND COMPANY | 2004-11-02 | — | — | US | disclosed |
| US-20030117472-A1 | Priming fluid for ink jet printheads | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-06-26 | — | — | US | disclosed |