Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 2/20 | 0.43 |
| ▸ | VNN1 | O95497 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 7/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | GRK6 | P43250 | 1/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL5622163 | 0.82 | CLK4 (0.43) | VNN1ALDH1A1 | |
| Pyridine SCHEMBL3572010 | 0.80 | JAK2 (0.33) | — | |
| Pyridine SCHEMBL3573055 | 0.77 | TYRO3 (0.37) | — | |
| Pyridine SCHEMBL3562760 | 0.71 | JAK2 (0.44) | ADRA1A | |
| Pyridine SCHEMBL3574027 | 0.69 | JAK2 (0.42) | — | |
| Pyridine SCHEMBL5622022 | 0.69 | ALDH1A1 (0.43) | ALDH1A1 | |
| Pyridine SCHEMBL3571503 | 0.68 | CTSK (0.43) | — | |
| Pyridine SCHEMBL5621172 | 0.67 | MKNK2 (0.39) | ADORA2AADORA3ADORA2BADORA1HTR2C | |
| Pyridine SCHEMBL3569024 | 0.67 | MEN1 (0.38) | ADORA3IDH1 | |
| SCHEMBL3840158 | 0.65 | VNN1 (0.49) | PLK1VNN1ALDH1A1IDH1GRK6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7855212-B2 | Pyridinyl acetonitriles | MERCK SERONO SA (CH) | 2010-12-21 | — | — | US | claimed |