Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 3/20 | 0.46 |
| ▸ | NOS3 | P29474 | 4/20 | 0.41 |
| ▸ | NOS1 | P29475 | 4/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28816893 | 0.79 | NPC1 (0.50) | NPC1RAB9AMPONOS3NOS1 | |
| SCHEMBL28000659 | 0.75 | NPC1 (0.47) | NPC1RAB9AMPONOS3NOS1 | |
| SCHEMBL28047019 | 0.73 | ALDH1A1 (0.46) | RAB9AMPONOS3NOS1NOS2 | |
| SCHEMBL29442814 | 0.71 | L3MBTL1 (0.45) | NPC1RAB9AMPONOS3NOS1 | |
| SCHEMBL21383967 | 0.71 | L3MBTL1 (0.45) | NPC1RAB9AMPONOS3NOS1 | |
| SCHEMBL28047795 | 0.69 | L3MBTL1 (0.43) | NPC1RAB9AMPOL3MBTL1TAAR1 | |
| SCHEMBL10569673 | 0.68 | MPO (0.55) | NPC1RAB9AMPONOS3NOS1 | |
| SCHEMBL562293 | 0.68 | TACR1 (0.48) | ADCY10 | |
| SCHEMBL5591246 | 0.68 | ADCY10 (0.45) | NPC1RAB9AMPOTAAR1ADCY10 | |
| SCHEMBL272886 | 0.68 | NOS3 (0.54) | RAB9ANOS3NOS1NOS2BACE1 |
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-102482218-B | Pyridine And Pyrazine Derivatives As Protein Kinase Modulators | NOVARTIS AG | 2015-01-21 | — | — | CN | disclosed |