Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 5/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22039704 | 0.82 | NOS3 (0.38) | NOS3NOS1NOS2MAOBHRH2 | |
| SCHEMBL28714501 | 0.82 | NISCH (0.39) | NOS3NOS1NOS2NISCHMAOB | |
| SCHEMBL22040850 | 0.82 | NOS3 (0.38) | NOS3NOS1NOS2MAOBHRH2 | |
| SCHEMBL29437690 | 0.82 | NOS3 (0.38) | NOS3NOS1NOS2NISCHHRH3 | |
| SCHEMBL22040133 | 0.82 | NOS3 (0.38) | NOS3NOS1NOS2MAOBHRH2 | |
| SCHEMBL29437712 | 0.82 | NISCH (0.39) | NOS3NOS1NOS2NISCHMAOB | |
| SCHEMBL22546693 | 0.82 | NISCH (0.41) | NOS3NOS1NOS2NISCHMAOB | |
| SCHEMBL22546622 | 0.82 | NISCH (0.41) | NOS3NOS1NOS2NISCHMAOB | |
| SCHEMBL23878299 | 0.80 | NOS3 (0.39) | NOS3NOS1NOS2NISCHALDH1A1 | |
| SCHEMBL22039769 | 0.80 | NOS3 (0.39) | NOS3NOS1NOS2NISCHALDH1A1 |
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-102838522-A | Chiral pyrroline synthetic method by palladium-catalyzed asymmetric hydrogenation | DALIAN CHEMICAL PHYSICS INST | 2012-12-26 | — | — | CN | disclosed |