Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.75 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.67 |
| ▸ | RAD52 | P43351 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14864839 | 0.82 | CYP1A2 (0.53) | CYP2D6CYP1A2AOC3RAD52MEN1 | |
| SCHEMBL20050149 | 0.81 | AOC3 (0.59) | CYP2D6CYP1A2AOC3MEN1KMT2A | |
| SCHEMBL10120474 | 0.80 | UGT2B7 (0.62) | CYP2D6CYP1A2AOC3MEN1KMT2A | |
| SCHEMBL483715 | 0.80 | UGT2B7 (0.62) | CYP2D6CYP1A2AOC3MEN1KMT2A | |
| SCHEMBL27432652 | 0.80 | CYP2D6 (0.50) | CYP2D6CYP1A2AOC3RAD52MEN1 | |
| SCHEMBL5417971 | 0.78 | AOC3 (0.60) | CYP2D6CYP1A2AOC3RAD52TSHR | |
| SCHEMBL6055328 | 0.77 | MEN1 (0.58) | CYP2D6CYP1A2AOC3MEN1KMT2A | |
| SCHEMBL8077477 | 0.77 | CYP1A2 (0.48) | CYP2D6CYP1A2AOC3MEN1KMT2A | |
| SCHEMBL7229252 | 0.77 | CYP2D6 (0.57) | CYP2D6CYP1A2AOC3MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9737723 | 0.77 | AOC3 (0.58) | CYP2D6CYP1A2AOC3RAD52TSHR |
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-0288563-B1 | CYCLIC AMINE DERIVATIVES | EISAI CO LTD (JP) | 1994-05-11 | — | — | EP | disclosed |
| US-4921863-A | Cyclic amine derivatives | EISAI CO., LTD. (JP) | 1990-05-01 | — | — | US | disclosed |
| EP-0288563-A1 | CYCLIC AMINE DERIVATIVES | Eisai Co., Ltd. (JP) | 1988-11-02 | — | — | EP | disclosed |