Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 2/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3852542 | 0.94 | GAA (0.51) | GAANCF1MAP4K1MTORCHEK2 | |
| Trifluoroacetic Acid SCHEMBL3844992 | 0.92 | MAPKAPK2 (0.40) | GAANCF1MAP4K1CDK8MAPKAPK2 | |
| Trifluoroacetic Acid SCHEMBL3848126 | 0.86 | KCNH2 (0.44) | NCF1MTORCDK8MAPKAPK2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3845975 | 0.85 | C1S (0.41) | GAANCF1MTORALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL3857455 | 0.82 | NR1H2 (0.37) | MAPKAPK2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3846072 | 0.80 | MAP4K1 (0.41) | MAP4K1MTORCDK8MAPKAPK2CCR1 | |
| SCHEMBL3851844 | 0.80 | CYP3A4 (0.50) | NCF1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3845912 | 0.80 | NCF1 (0.45) | GAANCF1MTORMAPKAPK2 | |
| Hydrochloric Acid SCHEMBL3855245 | 0.80 | MEN1 (0.42) | NCF1MAP4K1MTORCDK8KDM4E | |
| SCHEMBL3847156 | 0.80 | AKR1C3 (0.43) | MTORKDM4EALDH1A1MAPTPDGFRB |
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 |
|---|---|---|---|---|---|---|---|
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |