Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzylphenylether. 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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.64 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.61 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.61 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.58 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.58 |
| ▸ | ALPG | P10696 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Benzylphenylether SCHEMBL27502543 | 1.00 | CYP2C19 (0.64) | CYP2C19LMNACYP1A2PTGS1SLC6A2 | |
| Benzylphenylether SCHEMBL18045520 | 1.00 | CYP2C19 (0.64) | CYP2C19LMNACYP1A2PTGS1SLC6A2 | |
| Benzylphenylether SCHEMBL61660 | 0.87 | LMNA (0.74) | CYP2C19LMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL6800341 | 0.85 | PTGS1 (0.61) | CYP2C19LMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL5861974 | 0.85 | LMNA (0.61) | CYP2C19LMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL9665015 | 0.85 | CYP2C19 (0.61) | CYP2C19LMNACYP1A2PTGS1SLC6A2 | |
| Benzylphenylether SCHEMBL10872821 | 0.85 | LMNA (0.72) | CYP2C19LMNACYP1A2PTGS1SLC6A2 | |
| Benzylphenylether SCHEMBL28285060 | 0.85 | LMNA (0.65) | CYP2C19LMNACYP1A2PTGS1SLC6A2 | |
| Benzylphenylether SCHEMBL23235842 | 0.84 | LMNA (0.71) | CYP2C19LMNACYP1A2PTGS1SLC6A2 | |
| Benzylphenylether SCHEMBL9549322 | 0.84 | LMNA (0.71) | CYP2C19LMNACYP1A2PTGS1SLC6A2 |
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-6960553-B2 | Heat-sensitive recording material | MITSUBISHI PAPER MILLS LTD. (JP) | 2005-11-01 | — | — | US | disclosed |
| US-20030186810-A1 | Heat-sensitive recording material | MITSUBISHI PAPER MILLS LTD. | 2003-10-02 | — | — | US | disclosed |