Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28798661 | 0.77 | PARP1 (0.44) | SMN1; SMN2ADORA3PARP1ALDH1A1TNKS2 | |
| SCHEMBL22487731 | 0.76 | L3MBTL1 (0.42) | SMN1; SMN2ADORA3ALDH1A1L3MBTL1 | |
| SCHEMBL22487953 | 0.71 | — | — | |
| SCHEMBL5525880 | 0.67 | ALDH1A1 (0.44) | ALDH1A1HTT | |
| SCHEMBL20019920 | 0.67 | HMBS (0.48) | SMN1; SMN2PARP1ALDH1A1 | |
| SCHEMBL10401760 | 0.64 | — | — | |
| SCHEMBL7618865 | 0.64 | SMN1; SMN2 (0.50) | SMN1; SMN2ADORA3HSP90AA1ESR2TDP1 | |
| SCHEMBL7914435 | 0.64 | SMN1; SMN2 (0.41) | SMN1; SMN2ADORA3HSP90AA1ESR2TDP1 | |
| SCHEMBL4016272 | 0.63 | — | — | |
| SCHEMBL15743183 | 0.61 | MAT2A (0.37) | — |
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-2019055540-A1 | COMPOUNDS AS RAS INHIBITORS AND USE THEREOF | D.E. SHAW RESEARCH, LLC (US) | 2019-03-21 | — | — | WO | disclosed |