Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28182387 | 0.98 | NOS2 (0.41) | NOS2TDP1L3MBTL1NOS3KCNH2 | |
| SCHEMBL31282524 | 0.98 | NOS2 (0.41) | NOS2TDP1L3MBTL1NOS3KCNH2 | |
| SCHEMBL28182429 | 0.98 | NOS2 (0.41) | NOS2TDP1L3MBTL1NOS3KCNH2 | |
| SCHEMBL28323117 | 0.98 | NOS2 (0.41) | NOS2TDP1L3MBTL1NOS3KCNH2 | |
| SCHEMBL31283581 | 0.98 | NOS2 (0.41) | NOS2TDP1L3MBTL1NOS3KCNH2 | |
| SCHEMBL27839140 | 0.94 | NOS2 (0.43) | NOS2TDP1L3MBTL1NOS3MEN1 | |
| SCHEMBL9019314 | 0.86 | NOS2 (0.50) | NOS2NOS3KDM4ECYP3A4CCR1 | |
| SCHEMBL21883590 | 0.81 | TYR (0.45) | NOS2TDP1L3MBTL1KCNH2TYR | |
| SCHEMBL7469884 | 0.81 | NOS2 (0.38) | NOS2NOS3CCR1CCR5CCR8 | |
| SCHEMBL24734425 | 0.81 | NOS2 (0.35) | NOS2NOS3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3181133-A1 | NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS | Pfizer Inc (US) | 2017-06-21 | — | — | EP | disclosed |