Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.39 |
| ▸ | ITGAV | P06756 | 8/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27493347 | 1.00 | CYP2D6 (0.41) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27511354 | 1.00 | CYP2D6 (0.41) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27509544 | 0.84 | ITGB3 (0.41) | CYP2D6CYP2C19ITGB3ITGAVITGB1 | |
| SCHEMBL27511699 | 0.84 | ITGB3 (0.52) | KMT2ACYP2C19ITGB3ITGAVITGB1 | |
| SCHEMBL27494528 | 0.84 | ITGB3 (0.45) | MEN1KMT2AGAAITGB3ITGAV | |
| SCHEMBL27524759 | 0.83 | ITGB3 (0.42) | CYP2D6CYP2C19ITGB3ITGAVITGB1 | |
| SCHEMBL27510229 | 0.82 | SPR (0.46) | MEN1KMT2AGAAITGB3ITGAV | |
| SCHEMBL27511351 | 0.81 | ALDH1A1 (0.50) | MEN1KMT2AGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL27510621 | 0.81 | ITGB3 (0.48) | CYP2D6MEN1KMT2AGAACYP2C19 | |
| SCHEMBL27495319 | 0.77 | KDM4E (0.42) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1223650-A | Piperidines and pyrrolidines | MERCK PATENT GMBH (DE) | 1999-07-21 | — | — | CN | disclosed |