Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | BAX | Q07812 | 1/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | TSPO | P30536 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | ACACB | O00763 | 1/20 | 0.49 |
| ▸ | ACACA | Q13085 | 1/20 | 0.49 |
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 SCHEMBL29175285 | 0.97 | LTA4H (0.67) | LTA4HTSHRPARP10NR1H2BAX | |
| Diphenylether SCHEMBL1830446 | 0.97 | LTA4H (0.67) | LTA4HTSHRPARP10NR1H2BAX | |
| Diphenylether SCHEMBL29116059 | 0.92 | LTA4H (0.60) | LTA4HTSHRPARP10NR1H2BAX | |
| Diphenylether SCHEMBL28412058 | 0.92 | LTA4H (0.67) | LTA4HTSHRPARP10NR1H2BAX | |
| Diphenylether SCHEMBL8095335 | 0.89 | LTA4H (0.80) | LTA4HTSHRPARP10NR1H2BAX | |
| Diphenylether SCHEMBL896890 | 0.88 | LTA4H (0.55) | LTA4HTSHRPARP10NR1H2BAX | |
| Diphenylether SCHEMBL360280 | 0.86 | LTA4H (0.75) | LTA4HTSHRPARP10NR1H2BAX | |
| Diphenylether SCHEMBL1965337 | 0.86 | LTA4H (0.75) | LTA4HTSHRPARP10NR1H2BAX | |
| Diphenylether SCHEMBL5606885 | 0.86 | LTA4H (0.75) | LTA4HTSHRPARP10NR1H2BAX | |
| Diphenylether SCHEMBL28186429 | 0.85 | HPGD (0.60) | LTA4HTSHRPARP10NR1H2BAX |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0786012-B1 | ENZYMATIC PROCESS FOR THE PREPARATION OF CHIRAL-ALPHA-TERTIARY CARBOXYLIC ACID ESTERS | DU PONT (US) | 1998-12-23 | — | — | EP | disclosed |
| EP-0786012-A1 | ENZYMATIC PROCESS FOR THE PREPARATION OF CHIRAL-ALPHA-TERTIARY CARBOXYLIC ACID ESTERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-07-30 | — | — | EP | disclosed |
| US-5580783-A | SELECTIVE ENRICHMENT OF ENANTIOMERS USING MICROBIAL CELL BIOCATALYST | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-12-03 | — | — | US | disclosed |
| WO-1996012035-A1 | ENZYMATIC PROCESS FOR THE PREPARATION OF CHIRAL-ALPHA-TERTIARY CARBOXYLIC ACID ESTERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-04-25 | — | — | WO | disclosed |