Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.53 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.49 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | METAP2 | P50579 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 3/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | PAK4 | O96013 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21945253 | 0.84 | CYP2A6 (0.49) | CYP2A6MAP2K4ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL28440679 | 0.81 | ALOX15 (0.68) | CYP2A6MAP2K4ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL10166458 | 0.78 | ALOX15 (0.70) | ALDH1A1IDO1CHEK1KDM4ELMNA | |
| SCHEMBL28058395 | 0.76 | MAPK8 (0.49) | IDO1MAPK8MAPK9LMNAMAPT | |
| SCHEMBL18818721 | 0.73 | CYP2A6 (0.67) | CYP2A6MAP2K4ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL13910994 | 0.71 | CYP2A6 (0.70) | CYP2A6ALDH1A1CYP3A4CYP1A2NPY5R | |
| SCHEMBL5931880 | 0.70 | CYP2A6 (0.53) | CYP2A6MAP2K4ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL26242535 | 0.70 | CYP2A6 (0.53) | CYP2A6MAP2K4ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL18770438 | 0.70 | MAP2K4 (0.55) | CYP2A6MAP2K4ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL14809717 | 0.70 | MAP2K4 (0.55) | CYP2A6MAP2K4ALDH1A1CYP3A4CYP1A2 |
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-105541796-A | Synthetic method of NH-1,2,3-triazole bipyridine compounds | WUHAN INST TECHNOLOGY | 2016-05-04 | — | — | CN | disclosed |