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 | |
|---|---|---|---|---|
| SCHEMBL16246706 | 0.86 | KLKB1 (0.57) | KLKB1KLK1 | |
| Hydrochloric Acid SCHEMBL16247072 | 0.85 | KLKB1 (0.56) | KLKB1KLK1 | |
| SCHEMBL16246736 | 0.73 | KLKB1 (0.51) | KLKB1KLK1 | |
| Tert-Butyl Formate SCHEMBL27973140 | 0.72 | TDP1 (0.42) | — | |
| Tert-Butyl Formate SCHEMBL27679808 | 0.72 | LMNA (0.43) | — | |
| SCHEMBL16486803 | 0.72 | KLKB1 (0.48) | KLKB1KLK1 | |
| Benzylhydrazine SCHEMBL27715144 | 0.72 | IDO1 (0.59) | — | |
| SCHEMBL15759268 | 0.71 | KLKB1 (0.51) | KLKB1KLK1 | |
| Tert-Butyl Formate SCHEMBL27861708 | 0.71 | ANPEP (0.47) | — | |
| SCHEMBL13102481 | 0.70 | KLKB1 (0.54) | KLKB1KLK1 |
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-105452240-B | Hete rocyclic derivatives | 卡尔维斯塔制药有限公司 | 2018-06-26 | — | — | CN | disclosed |
| CN-105452240-A | Heterocyclic derivates | KALVISTA PHARMACEUTICALS LTD | 2016-03-30 | — | — | CN | disclosed |