Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 16/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 16/20 | 0.64 |
| ▸ | CLK4 | Q9HAZ1 | 12/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.64 |
| ▸ | USP2 | O75604 | 7/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 9/20 | 0.55 |
| ▸ | MEN1 | O00255 | 6/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30333672 | 0.92 | CYP1A2 (0.53) | CYP1A2CYP3A4CLK4CYP2C19USP2 | |
| SCHEMBL30333730 | 0.87 | CYP1A2 (0.49) | CYP1A2CYP3A4CLK4CYP2C19USP2 | |
| SCHEMBL30333371 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP3A4CLK4CYP2C19USP2 | |
| SCHEMBL30334425 | 0.85 | CYP1A2 (0.50) | CYP1A2CYP3A4CLK4CYP2C19USP2 | |
| SCHEMBL30333230 | 0.84 | CYP1A2 (0.46) | CYP1A2CYP3A4CLK4CYP2C19USP2 | |
| SCHEMBL30332986 | 0.84 | CYP1A2 (0.46) | CYP1A2CYP3A4CLK4CYP2C19USP2 | |
| SCHEMBL30333415 | 0.80 | PIK3CD (0.53) | CYP1A2CYP3A4CLK4CYP2C19USP2 | |
| SCHEMBL30333432 | 0.80 | PIK3CD (0.58) | CYP1A2CYP3A4CLK4CYP2C19USP2 | |
| SCHEMBL30334606 | 0.79 | CYP1A2 (0.55) | CYP1A2CYP3A4CLK4CYP2C19USP2 | |
| SCHEMBL183522 | 0.76 | PIK3CD (0.52) | CYP1A2CYP3A4CLK4CYP2C19USP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023045960-A1 | PYRIDINE DERIVATIVE AND USE THEREOF | 四川汇宇制药股份有限公司 | 2023-03-30 | — | — | WO | disclosed |