Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 3/20 | 0.30 |
| ▸ | BRD2 | P25440 | 2/20 | 0.30 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.30 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27965357 | 1.00 | TDP1 (0.38) | TDP1MAPK1OPRK1KDM1AMAOB | |
| Tert-Butyl Formate SCHEMBL27965622 | 0.96 | TDP1 (0.37) | TDP1MAPK1OPRK1 | |
| Tert-Butyl Formate SCHEMBL27801730 | 0.88 | TDP1 (0.33) | TDP1MAPK1OPRK1 | |
| Tert-Butyl Formate SCHEMBL28071662 | 0.85 | TDP1 (0.41) | TDP1MAPK1OPRK1KDM1AMAOB | |
| Tert-Butyl Formate SCHEMBL28071694 | 0.85 | TDP1 (0.41) | TDP1MAPK1OPRK1KDM1AMAOB | |
| Tert-Butyl Formate SCHEMBL27774449 | 0.85 | TDP1 (0.41) | TDP1MAPK1OPRK1KDM1AMAOB | |
| Tert-Butyl Formate SCHEMBL28336025 | 0.84 | TDP1 (0.39) | TDP1MAPK1OPRK1KDM1AMAOB | |
| Tert-Butyl Formate SCHEMBL28336026 | 0.84 | TDP1 (0.39) | TDP1MAPK1OPRK1KDM1AMAOB | |
| Tert-Butyl Formate SCHEMBL27822450 | 0.81 | KCNH2 (0.51) | TDP1MAPK1OPRK1KDM1AMAOB | |
| SCHEMBL7327965 | 0.80 | KCNH2 (0.39) | MAPK1OPRK1KDM1AMAOBBRD4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101952280-B | Bicyclic heterocyclic derivative | DAINIPPON SUMITOMO PHARMA CO | 2014-04-23 | — | — | CN | disclosed |