Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.61 |
| ▸ | AXL | P30530 | 1/20 | 0.61 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.61 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.55 |
| ▸ | DYRK1B | Q9Y463 | 4/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.51 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL783005 | 1.00 | PIK3C3 (0.64) | PIK3C3MEN1PSIP1AXLMKNK1 | |
| SCHEMBL31349414 | 1.00 | PIK3C3 (0.64) | PIK3C3MEN1PSIP1AXLMKNK1 | |
| SCHEMBL4402187 | 0.81 | DYRK1A (0.63) | PIK3C3MEN1MKNK1MKNK2DYRK1A | |
| SCHEMBL30935767 | 0.81 | DYRK1A (0.63) | PIK3C3MEN1MKNK1MKNK2DYRK1A | |
| SCHEMBL18745793 | 0.80 | DYRK1A (0.50) | PIK3C3MEN1MKNK1MKNK2CYP2A6 | |
| SCHEMBL20764798 | 0.80 | PIK3C3 (1.00) | PIK3C3MEN1PSIP1AXLMKNK1 | |
| SCHEMBL1836488 | 0.79 | DYRK1A (0.58) | PIK3C3MEN1MKNK1MKNK2DYRK1A | |
| SCHEMBL29432628 | 0.79 | DYRK1A (0.58) | PIK3C3MEN1MKNK1MKNK2DYRK1A | |
| Hydrochloric Acid SCHEMBL10461111 | 0.79 | DYRK1A (0.61) | PIK3C3MEN1MKNK1MKNK2DYRK1A | |
| SCHEMBL1760672 | 0.78 | CYP2A6 (0.68) | MEN1PSIP1AXLMKNK1MKNK2 |
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-110818683-B | 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2023-04-14 | — | — | CN | disclosed |