Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.34 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | ZAP70 | P43403 | 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 | |
|---|---|---|---|---|
| SCHEMBL9706003 | 0.88 | PARP1 (0.40) | PARP1ALDH1A1MAPK1PI4KAPI4K2B | |
| SCHEMBL9669702 | 0.79 | PARP1 (0.42) | PARP1ALDH1A1MAPK1PI4KAPI4K2B | |
| SCHEMBL9705260 | 0.77 | NOS1 (0.45) | PARP1ALDH1A1MAPK1NOS3NOS1 | |
| SCHEMBL9704929 | 0.75 | PARP1 (0.40) | PARP1 | |
| SCHEMBL7851162 | 0.74 | PARP1 (0.43) | PARP1ALDH1A1MAPK1PI4KAPI4K2B | |
| SCHEMBL27573343 | 0.72 | PI4KA (0.45) | NOS3NOS1NOS2PI4KAPI4K2B | |
| SCHEMBL18786068 | 0.71 | PI4KA (0.44) | NOS3NOS1NOS2PI4KAPI4K2B | |
| SCHEMBL18776172 | 0.71 | CYP1A2 (0.38) | ALDH1A1MAPK1CYP1A2 | |
| SCHEMBL9705991 | 0.70 | PARP1 (0.47) | PARP1ALDH1A1MAPK1MAPT | |
| SCHEMBL18785378 | 0.70 | CYP1A2 (0.37) | ALDH1A1MAPK1CYP1A2 |
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-0470543-A1 | Heterocyclic imidazoles, remedies containing them and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1992-02-12 | — | — | EP | disclosed |