Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.33 |
| ▸ | TPSD1 | Q9BZJ3 | 2/20 | 0.33 |
| ▸ | TPSG1 | Q9NRR2 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26741737 | 0.87 | PARP1 (0.39) | PARP1HTR2CCA1CA2CA4 | |
| SCHEMBL4332678 | 0.83 | TSHR (0.39) | PARP1CA1CA2CA4CA9 | |
| Hydrochloric Acid SCHEMBL17560393 | 0.81 | TSHR (0.38) | PARP1 | |
| SCHEMBL337351 | 0.79 | PARP1 (0.54) | PARP1 | |
| SCHEMBL336577 | 0.79 | PARP1 (0.54) | PARP1 | |
| SCHEMBL336578 | 0.79 | PARP1 (0.54) | PARP1 | |
| SCHEMBL14040662 | 0.77 | CA1 (0.35) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL12583515 | 0.77 | CA1 (0.35) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL4678845 | 0.77 | CA1 (0.36) | PARP1CA1CA2CA4CA9 | |
| SCHEMBL12583046 | 0.77 | CA1 (0.35) | PARP1CA1CA2CA4CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006004880-A2 | SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS | SCHERING CORPORATION (US) | 2006-01-12 | — | — | WO | disclosed |