Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
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 SCHEMBL27987725 | 0.92 | TDP1 (0.46) | TDP1KDM1AMAOAMAOB | |
| Tert-Butyl Formate SCHEMBL28336025 | 0.91 | TDP1 (0.39) | TDP1KDM1AMAOB | |
| Tert-Butyl Formate SCHEMBL28336026 | 0.91 | TDP1 (0.39) | TDP1KDM1AMAOB | |
| Tert-Butyl Formate SCHEMBL28165086 | 0.85 | TDP1 (0.43) | TDP1KCNH2 | |
| Tert-Butyl Formate SCHEMBL28036613 | 0.85 | TDP1 (0.43) | TDP1KCNH2 | |
| Tert-Butyl Formate SCHEMBL27725082 | 0.84 | EPHX1 (0.42) | TDP1KDM1AMAOAMAOB | |
| Tert-Butyl Formate SCHEMBL27410595 | 0.78 | TDP1 (0.46) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27852871 | 0.77 | TDP1 (0.45) | TDP1 | |
| SCHEMBL5778312 | 0.76 | — | — | |
| SCHEMBL4709668 | 0.76 | — | — |
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-110475777-A | For treating and preventing new pyrido [2,3-b] benzazolyl compounds of bacterium infection | HOFFMANN LA ROCHE | 2019-11-19 | — | — | CN | disclosed |