Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4048843 | 1.00 | HPGD (0.43) | HPGDALDH1A1ADORA3ADORA1MAPT | |
| SCHEMBL4050872 | 0.87 | HPGD (0.43) | HPGDALDH1A1ADORA3ADORA1MAPT | |
| SCHEMBL4051429 | 0.87 | HPGD (0.43) | HPGDALDH1A1ADORA3ADORA1MAPT | |
| SCHEMBL4050365 | 0.87 | HPGD (0.43) | HPGDALDH1A1ADORA3ADORA1MAPT | |
| SCHEMBL4055433 | 0.80 | HPGD (0.44) | HPGDALDH1A1ADORA3ADORA1MAPT | |
| SCHEMBL4049290 | 0.76 | ADORA3 (0.40) | HPGDALDH1A1ADORA3ADORA1TSHR | |
| SCHEMBL4057925 | 0.75 | ADORA3 (0.39) | HPGDALDH1A1ADORA3ADORA1RAB9A | |
| SCHEMBL4000261 | 0.74 | ADORA3 (0.38) | HPGDALDH1A1ADORA3ADORA1TLR7 | |
| SCHEMBL4049216 | 0.74 | THRB (0.34) | HPGDALDH1A1ADORA3MAPTADORA2A | |
| SCHEMBL4054984 | 0.74 | KIF11 (0.39) | ADORA3ADORA2A |
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-2070932-A1 | Pyrazolotriazines | 4SC AG (DE) | 2009-06-17 | — | — | EP | disclosed |