Predicted protein targets (top 2)
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 SCHEMBL27742763 | 0.82 | TDP1 (0.52) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28084673 | 0.82 | TDP1 (0.56) | TDP1TSHR | |
| Tert-Butyl Formate SCHEMBL27473155 | 0.81 | TDP1 (0.68) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28092916 | 0.81 | TDP1 (0.68) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28331255 | 0.81 | TDP1 (0.68) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27878208 | 0.81 | TDP1 (0.50) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27615962 | 0.81 | TDP1 (0.50) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27722006 | 0.79 | TDP1 (0.65) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27606011 | 0.79 | TDP1 (0.65) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28256721 | 0.79 | TDP1 (0.65) | TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646497-B | Pyrrolo-triazine ketone derivatives | 南京格亚医药科技有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-105646497-A | Pyrrolo-triazinone derivatives | 南京格亚医药科技有限公司 | 2016-06-08 | — | — | CN | disclosed |