Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.71 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.71 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.71 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.71 |
| ▸ | MAOB | P27338 | 7/20 | 0.68 |
| ▸ | APP | P05067 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | MAOA | P21397 | 1/20 | 0.68 |
| ▸ | RAB9A | P51151 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.68 |
| ▸ | BCHE | P06276 | 1/20 | 0.63 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.61 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.61 |
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 SCHEMBL61660 | 0.97 | LMNA (0.74) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| Benzylphenylether SCHEMBL9549322 | 0.95 | LMNA (0.71) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| Benzylphenylether SCHEMBL27439928 | 0.95 | LMNA (0.71) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| Benzylphenylether SCHEMBL28100345 | 0.95 | LMNA (0.71) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| Benzylphenylether SCHEMBL9283359 | 0.95 | LMNA (0.71) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| Benzylphenylether SCHEMBL23235842 | 0.95 | LMNA (0.71) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL10609652 | 0.92 | LMNA (0.75) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| Benzylphenylether SCHEMBL22499954 | 0.92 | LMNA (0.68) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| Benzylphenylether SCHEMBL28256345 | 0.92 | LMNA (0.68) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL339813 | 0.92 | LMNA (0.82) | LMNACYP1A2PTGS1SLC6A2CYP2C19 |
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-6043257-A | ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-03-28 | — | — | US | disclosed |
| US-5886191-A | ANTICOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-03-23 | — | — | US | disclosed |