Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.61 |
| ▸ | HTR2A | P28223 | 2/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | EBP | Q15125 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9313989 | 0.87 | CYP2D6 (0.68) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| Hydrochloric Acid SCHEMBL9314881 | 0.86 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9695191 | 0.85 | CYP2D6 (0.60) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9858161 | 0.83 | CYP2D6 (0.74) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9722040 | 0.82 | CYP2D6 (0.68) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9721988 | 0.80 | CYP2D6 (0.70) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9721972 | 0.80 | CYP2D6 (0.74) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL10932466 | 0.79 | CYP2D6 (1.00) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9722034 | 0.79 | CYP2D6 (0.72) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL9722021 | 0.79 | CYP2D6 (0.72) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0310122-B1 | ANTIFUNGAL COMPOSITION | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1991-07-24 | — | — | EP | claimed |
| US-5120735-A | Synergistic mixture of miconazole, ketoconazole or fluconazole and N-4-tertbutylbenzyl-N-methyl-1-naphthalenemethylamine | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1992-06-09 | — | — | US | disclosed |
| EP-0310122-B1 | ANTIFUNGAL COMPOSITION | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1991-07-24 | — | — | EP | disclosed |