Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | PI4KA | P42356 | 2/20 | 0.35 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.35 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5580019 | 0.69 | DCPS (0.43) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL647671 | 0.68 | NISCH (0.40) | ALDH1A1NISCHKDM4EMAPTHPGD | |
| Hydrochloric Acid SCHEMBL6448208 | 0.67 | NISCH (0.39) | ALDH1A1NISCHKDM4EMAPTHPGD | |
| Hydrochloric Acid SCHEMBL645055 | 0.67 | NISCH (0.39) | ALDH1A1NISCHKDM4EMAPTHPGD | |
| SCHEMBL4814372 | 0.64 | ADORA2A (0.51) | ALDH1A1POLBKDM4EMAPTHPGD | |
| SCHEMBL23412386 | 0.64 | F12 (0.46) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL27824941 | 0.63 | CYP3A4 (0.61) | ALDH1A1POLBRXFP1NISCHKDM4E | |
| SCHEMBL28283371 | 0.63 | ALDH1A1 (0.51) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL17047970 | 0.62 | DCPS (0.43) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL7517293 | 0.62 | IDO1 (0.41) | ALDH1A1PI4KAPI4K2BPI4K2API4KB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1673354-B1 | ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS | ORTHO MCNEIL PHARM INC (US) | 2009-04-22 | — | — | EP | disclosed |