Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.63 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | PDE4A | P27815 | 2/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.57 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ADH5 | P11766 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL326869 | 0.98 | NR4A1 (0.65) | NR4A1NR4A2ALDH1A1PDE4APDE4B | |
| SCHEMBL30831804 | 0.86 | PDE4A (0.68) | NR4A1NR4A2ALDH1A1PDE4APDE4B | |
| SCHEMBL28100871 | 0.85 | ALDH1A1 (0.58) | NR4A1NR4A2ALDH1A1PDE4APDE4B | |
| SCHEMBL31589965 | 0.84 | NR4A1 (0.64) | NR4A1NR4A2ALDH1A1PDE4APDE4B | |
| SCHEMBL10201831 | 0.84 | RXRA (0.57) | NR4A1NR4A2CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL30558759 | 0.82 | ALDH1A1 (0.71) | NR4A1NR4A2ALDH1A1PDE4APDE4B | |
| SCHEMBL28427931 | 0.81 | NR4A1 (0.47) | NR4A1NR4A2ALDH1A1PDE4APDE4B | |
| SCHEMBL10476781 | 0.81 | NR4A1 (0.60) | NR4A1NR4A2ALDH1A1PDE4APDE4B | |
| SCHEMBL327622 | 0.81 | PDE4A (0.54) | NR4A1NR4A2ALDH1A1PDE4APDE4B | |
| SCHEMBL17116879 | 0.81 | PDE4A (0.56) | NR4A1NR4A2ALDH1A1PDE4APDE4B |
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-107286099-A | Zn complex and its application that one kind is constructed based on 4 (2 methylimidazole) benzoic acid | 陕西理工学院 | 2017-10-24 | — | — | CN | disclosed |