Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | CLK1 | P49759 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.49 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7235686 | 0.93 | CLK1 (0.54) | ALDH1A1CLK1CYP2A6CSNK1DCSNK1E | |
| SCHEMBL4750534 | 0.93 | CLK1 (0.54) | ALDH1A1CLK1CYP2A6CSNK1DCSNK1E | |
| Isoquinoline SCHEMBL7993276 | 0.92 | CLK1 (0.50) | ALDH1A1CLK1CYP2A6CSNK1DCSNK1E | |
| Isoquinoline SCHEMBL27938240 | 0.84 | ALDH1A1 (0.68) | ALDH1A1CLK1CYP2A6PDGFRBPDGFRA | |
| Isoquinoline SCHEMBL1505711 | 0.84 | ALDH1A1 (0.68) | ALDH1A1CLK1CYP2A6PDGFRBPDGFRA | |
| SCHEMBL29726025 | 0.82 | ALDH1A1 (0.61) | ALDH1A1DYRK1APDGFRBPDGFRANPC1 | |
| Anthracene SCHEMBL5466102 | 0.82 | ALDH1A1 (0.85) | ALDH1A1CYP2A6DYRK1APDGFRBPDGFRA | |
| SCHEMBL50867 | 0.82 | ALDH1A1 (0.61) | ALDH1A1DYRK1APDGFRBPDGFRANPC1 | |
| Isoquinoline SCHEMBL902539 | 0.81 | ALDH1A1 (0.63) | ALDH1A1CLK1CYP2A6PDGFRBPDGFRA | |
| Quinoline SCHEMBL27569771 | 0.81 | ALDH1A1 (0.63) | ALDH1A1CLK1CYP2A6PDGFRBPDGFRA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001017997-A1 | SUBSTITUTED DIAZAANTHRACENE COMPOUNDS HAVING PHARMACEUTICAL UTILITY | DIAZANS LIMITED (CA) | 2001-03-15 | — | — | WO | disclosed |