Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 4/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PAK4 | O96013 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25697123 | 0.85 | MAPK1 (0.50) | RPS6KA3METKDRTRPA1MAPK1 | |
| SCHEMBL25696459 | 0.80 | MAPK1 (0.48) | RPS6KA3DYRK1ADAPK3JAK2PRKD3 | |
| SCHEMBL25696601 | 0.80 | TNKS (0.46) | AURKAJAK2KDRKCNH2 | |
| SCHEMBL20290060 | 0.80 | JAK1 (0.44) | RPS6KA3AURKAJAK2KDRJAK3 | |
| SCHEMBL25696739 | 0.79 | NPC1 (0.49) | CYP1A2CYP3A4TGFBR1RPS6KA3DYRK1A | |
| SCHEMBL27432231 | 0.79 | HSD17B1 (0.44) | JAK2MAPK1 | |
| SCHEMBL20289959 | 0.77 | JAK1 (0.41) | CYP3A4DYRK1AAURKAJAK2KDR | |
| SCHEMBL25697037 | 0.77 | CCNT1 (0.38) | AURKAJAK2PRKD3MAP4K4RET | |
| SCHEMBL25696885 | 0.77 | MAPK1 (0.53) | AURKAJAK2JAK3TBK1MAPK1 | |
| SCHEMBL27432272 | 0.77 | AMY1A (0.39) | RPS6KA3DYRK1AFLT3FGFR1DYRK1B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4393923-A1 | PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION | Yiyou Biotech (Shanghai) Co., Ltd. (CN) | 2024-07-03 | — | — | EP | disclosed |
| WO-2023115327-A1 | PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION | 中国药科大学 | 2023-06-29 | — | — | WO | disclosed |