Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 2/20 | 0.34 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL27947611 | 0.83 | CYP1A2 (0.51) | CYP1A2ABCG2PDE5ACLK4SMN1; SMN2 | |
| SCHEMBL27947596 | 0.81 | CYP1A2 (0.54) | CYP1A2MAP4K4GBA1ABCG2CSNK1G2 | |
| SCHEMBL27931149 | 0.75 | CYP1A2 (0.53) | CYP1A2MAP4K4GBA1ABCG2PDE5A | |
| SCHEMBL23773568 | 0.74 | CYP1A2 (0.41) | CYP1A2TLR8 | |
| SCHEMBL27947622 | 0.73 | CYP1A2 (0.51) | CYP1A2MAP4K4GBA1ABCG2PDE5A | |
| SCHEMBL6887995 | 0.72 | ALDH1A1 (0.35) | MAP4K4ALDH1A1 | |
| SCHEMBL19981078 | 0.71 | CYP1A2 (0.58) | CYP1A2MAOAMAOBNPC1RAB9A | |
| SCHEMBL30483555 | 0.71 | CYP1A2 (0.58) | CYP1A2MAOAMAOBNPC1RAB9A | |
| SCHEMBL27931139 | 0.70 | CYP1A2 (0.51) | CYP1A2CLK4SMN1; SMN2NPC1LMNA | |
| SCHEMBL28856766 | 0.68 | CYP1A2 (0.58) | CYP1A2ABCG2SMN1; SMN2NPC1LMNA |
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-103459382-A | Heterocyclic compounds for the inhibition of pask | BIOENERGENIX LLC | 2013-12-18 | — | — | CN | claimed |