Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 4/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14553257 | 0.81 | CYP2D6 (0.46) | EPHX1CNR2CNR1CYP2D6CYP2C19 | |
| SCHEMBL28714835 | 0.79 | EPHX2 (0.47) | EPHX1CNR1 | |
| SCHEMBL5205504 | 0.78 | EPHX1 (0.49) | EPHX1CNR2CNR1CYP2D6CYP2C19 | |
| SCHEMBL5203792 | 0.76 | EPHX1 (0.47) | EPHX1CNR2CNR1CYP2D6CYP2C19 | |
| SCHEMBL5204051 | 0.76 | EPHX1 (0.47) | EPHX1CNR2CNR1CYP2D6CYP2C19 | |
| SCHEMBL3914202 | 0.75 | HPGD (0.54) | EPHX1CNR1CYP2D6CYP2C19MEN1 | |
| SCHEMBL21295580 | 0.72 | ALDH1A1 (0.43) | ALDH1A1MAPTCES2CES1KDM4E | |
| SCHEMBL2485218 | 0.72 | ALDH1A1 (0.43) | ALDH1A1MAPTCES2CES1KDM4E | |
| SCHEMBL6850946 | 0.71 | CYP2D6 (0.65) | EPHX1CNR2CNR1CYP2D6CYP2C19 | |
| SCHEMBL13539198 | 0.70 | CNR2 (0.55) | EPHX1CNR2CNR1CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021086426-A1 | D-AMPHETAMINE COMPOUNDS, COMPOSITIONS, AND PROCESSES FOR MAKING AND USING THE SAME | KEMPHARM, INC. (US) | 2021-05-06 | — | — | WO | disclosed |