Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | RRM2 | P31350 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL30467854 | 0.84 | — | — | |
| SCHEMBL1369071 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL11717876 | 0.82 | HTT (0.37) | HTTKMT2ANOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL9127484 | 0.82 | HTT (0.37) | HTTKMT2ANOS3NOS1NOS2 | |
| SCHEMBL5757542 | 0.71 | ADORA2A (0.32) | HTTKMT2ANOS3NOS1NOS2 | |
| Pyrrole SCHEMBL28269437 | 0.68 | NOS3 (0.45) | HTTKMT2ANOS3NOS1NOS2 | |
| Pyrrole SCHEMBL28142812 | 0.68 | NOS3 (0.41) | KMT2ANOS3NOS1NOS2MAP4K4 | |
| SCHEMBL11612846 | 0.67 | AOC1 (0.35) | HTTKMT2ANOS3NOS1NOS2 | |
| SCHEMBL712180 | 0.64 | PIK3CD (0.43) | HTTKMT2ANOS3NOS1NOS2 | |
| Pyrrole SCHEMBL1410926 | 0.62 | HSP90AA1 (0.67) | NOS3NOS1NOS2 |
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-106660993-A | Kinase inhibitor | 上海复尚慧创医药研究有限公司 | 2017-05-10 | — | — | CN | disclosed |