Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 2/20 | 0.45 |
| ▸ | SYK | P43405 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TOP1 | P11387 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL27373326 | 0.78 | ALDH1A1 (0.50) | DHODHSYKNPC1ALDH1A1TOP1 | |
| Quinoline SCHEMBL27467667 | 0.75 | ALDH1A1 (0.50) | DHODHSYKNPC1ALDH1A1TOP1 | |
| Quinoline SCHEMBL28256977 | 0.75 | ALDH1A1 (0.50) | DHODHSYKNPC1ALDH1A1TOP1 | |
| Quinoline SCHEMBL28322407 | 0.75 | SYK (0.52) | DHODHSYKNPC1ALDH1A1TOP1 | |
| Quinoline SCHEMBL28866747 | 0.74 | ALDH1A1 (0.46) | ALDH1A1 | |
| Butylbenzyl SCHEMBL27721293 | 0.74 | ALDH1A1 (0.57) | DHODHNPC1ALDH1A1PDE4A | |
| SCHEMBL13242993 | 0.74 | PDE4A (0.46) | NPC1ALDH1A1PDE4AADORA3ADORA1 | |
| Quinoline SCHEMBL11220317 | 0.73 | ALDH1A1 (0.65) | NPC1ALDH1A1MEN1KMT2A | |
| Quinoline SCHEMBL28162427 | 0.73 | ALDH1A1 (0.71) | NPC1ALDH1A1KDM4ETP53MEN1 | |
| Quinoline SCHEMBL28025239 | 0.73 | ALDH1A1 (0.71) | NPC1ALDH1A1KDM4ETP53MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102516169-B | Method for preparing polysubstituted isoquinoline and heterocyclic pyridine derivants | UNIV TSINGHUA | 2014-05-28 | — | — | CN | disclosed |
| CN-102516169-A | Method for preparing polysubstituted isoquinoline and heterocyclic pyridine derivants | UNIV TSINGHUA | 2012-06-27 | — | — | CN | disclosed |