Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8713136 | 0.81 | MEN1 (0.48) | GRM5 | |
| SCHEMBL8714874 | 0.79 | TLR7 (0.42) | MALT1GRM4GRM5 | |
| SCHEMBL8712344 | 0.79 | GRM4 (0.41) | PDK1PDK2PDK3PDK4CYP11B2 | |
| SCHEMBL8709617 | 0.79 | GRM4 (0.41) | PDK1PDK2PDK3PDK4S1PR3 | |
| SCHEMBL8712498 | 0.78 | PDK1 (0.35) | PDK1PDK2PDK3PDK4MALT1 | |
| SCHEMBL8712738 | 0.77 | KDM4C (0.40) | GRM4GRM5 | |
| SCHEMBL27440948 | 0.76 | HPGD (0.51) | — | |
| SCHEMBL8715276 | 0.75 | EGLN2 (0.39) | PDK1PDK2PDK3PDK4GRM4 | |
| SCHEMBL8713994 | 0.74 | P2RX7 (0.40) | GRM4 | |
| SCHEMBL8709198 | 0.72 | GRM4 (0.41) | PDK1PDK2PDK3PDK4GRM4 |
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-1097741-A | Pyridine derivate, Preparation Method And The Use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-01-25 | — | — | CN | disclosed |