Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | KIF11 | P52732 | 2/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.31 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.31 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7769548 | 0.86 | CYP1A2 (0.37) | CYP1A2NR1H2NR1H3CYP2D6MAOA | |
| SCHEMBL5953708 | 0.80 | ALDH1A1 (0.43) | CYP1A2NR1H2NR1H3CYP2D6MAOA | |
| Hydrochloric Acid SCHEMBL9054765 | 0.79 | ALDH1A1 (0.42) | NR1H2NR1H3MAOAALDH1A1DRD2 | |
| SCHEMBL6685325 | 0.79 | DRD2 (0.44) | CYP1A2CYP2D6MAOAALDH1A1DRD2 | |
| SCHEMBL7773539 | 0.77 | LMNA (0.52) | NR1H2NR1H3MAOAPTGDR2ALDH1A1 | |
| SCHEMBL5953497 | 0.77 | PYCR1 (0.46) | CYP1A2CYP2D6MAOAALDH1A1TYMS | |
| SCHEMBL7773540 | 0.74 | GPR84 (0.40) | CYP1A2NR1H2NR1H3CYP2D6MAOA | |
| SCHEMBL9473027 | 0.69 | CYP1A2 (0.33) | CYP1A2NR1H2NR1H3CYP2D6MAOA | |
| SCHEMBL7769552 | 0.68 | MAPT (0.43) | CYP1A2CYP2D6MAOAALDH1A1DRD2 | |
| SCHEMBL7765648 | 0.65 | AHR (0.41) | CYP1A2CYP2D6P2RX4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0726265-B1 | 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity | NOVARTIS AG (CH) | 2001-07-25 | — | — | EP | disclosed |
| EP-0726265-A1 | 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity | CIBA-GEIGY AG (CH) | 1996-08-14 | — | — | EP | disclosed |