Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KAT2B | Q92831 | 5/20 | 0.55 |
| ▸ | BCHE | P06276 | 4/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.54 |
| ▸ | BACE1 | P56817 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | CCR2 | P41597 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28086924 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10656251 | 0.91 | BCHE (0.64) | BCHEACHEBACE1 | |
| SCHEMBL19122623 | 0.91 | BCHE (0.64) | BCHEACHEBACE1 | |
| SCHEMBL28205760 | 0.83 | KAT2B (0.41) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3047685 | 0.82 | ACHE (0.62) | BCHEACHEBACE1KDM4E | |
| SCHEMBL16386020 | 0.82 | CYP1A2 (0.62) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12032723 | 0.81 | CYP1A2 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL350928 | 0.81 | CYP1A2 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL17377408 | 0.81 | CYP1A2 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2730825 | 0.81 | CYP1A2 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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-105734089-A | An asymmetric synthesis method for (R)-3-amino piperidine derivatives | 南京博优康远生物医药科技有限公司 | 2016-07-06 | — | — | CN | disclosed |