Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 7/20 | 0.86 |
| ▸ | TSHR | P16473 | 1/20 | 0.86 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.60 |
| ▸ | BAX | Q07812 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.48 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Diphenylether SCHEMBL11437632 | 0.93 | LTA4H (0.86) | LTA4HTSHRNR1H2BAXMAOA | |
| Diphenylether SCHEMBL4950525 | 0.93 | LTA4H (1.00) | LTA4HTSHRNR1H2BAXMAOA | |
| Diphenylether SCHEMBL12286 | 0.93 | LTA4H (1.00) | LTA4HTSHRNR1H2BAXMAOA | |
| Diphenylether SCHEMBL2461810 | 0.93 | LTA4H (1.00) | LTA4HTSHRNR1H2BAXMAOA | |
| Diphenylether SCHEMBL9061108 | 0.93 | LTA4H (1.00) | LTA4HTSHRNR1H2BAXMAOA | |
| Diphenylether SCHEMBL11249937 | 0.89 | LTA4H (0.92) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL3893562 | 0.89 | LTA4H (0.92) | LTA4HTSHRNR1H2BAXMAOA | |
| Diphenylether SCHEMBL10454819 | 0.89 | LTA4H (0.92) | LTA4HTSHRNR1H2BAXMAOA | |
| Diphenylether SCHEMBL3394132 | 0.89 | LTA4H (0.92) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL22129853 | 0.89 | LTA4H (0.92) | LTA4HTSHRNR1H2BAXMAOA |
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-4187385-A | TITANIUM COMPONENT COPULVERIZED WITH ORGANOALUMINUM COMPOUND AND ETHYLENE OR A-OLEFINS, PARTICLE SIZE | MITSUI TOATSU CHEMICAL, INC. (JP) | 1980-02-05 | — | — | US | disclosed |
| US-4028481-A | ACTIVATED TITANIUM TRICHLORIDE AND AN ORGANOALUMINUM COMPOUND | MITSUI TOATSU CHEMICALS, INCORPORATED (JA) | 1977-06-07 | — | — | US | disclosed |