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 | |
|---|---|---|---|---|
| SCHEMBL27591188 | 0.83 | TDP1 (0.32) | TDP1 | |
| SCHEMBL27626232 | 0.81 | TAAR1 (0.35) | TDP1 | |
| SCHEMBL27687723 | 0.78 | TAAR1 (0.36) | TDP1 | |
| SCHEMBL30341213 | 0.77 | TDP1 (0.33) | ALDH1A1TDP1 | |
| SCHEMBL27490674 | 0.77 | CA1 (0.30) | — | |
| SCHEMBL27563028 | 0.77 | TDP1 (0.30) | TDP1 | |
| SCHEMBL28752326 | 0.77 | TDP1 (0.30) | TDP1 | |
| SCHEMBL28002186 | 0.77 | TDP1 (0.31) | TDP1 | |
| SCHEMBL28166797 | 0.77 | GNAO1 (0.37) | — | |
| SCHEMBL27531040 | 0.77 | GBA1 (0.34) | ALDH1A1 |
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-107098886-A | Quinazolinones PARP-1/2 inhibitor containing piperazinones and preparation method thereof, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2017-08-29 | — | — | CN | disclosed |