Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL292390 | 0.80 | — | — | |
| SCHEMBL25597554 | 0.75 | CA1 (0.33) | CA1CA2CA4 | |
| SCHEMBL23373642 | 0.71 | — | — | |
| SCHEMBL24835768 | 0.70 | — | — | |
| SCHEMBL15504872 | 0.68 | CA1 (0.43) | NOS1NOS2CA1CA2CA4 | |
| SCHEMBL294147 | 0.68 | CYP1A2 (0.37) | — | |
| SCHEMBL21077350 | 0.68 | CA1 (0.43) | NOS1NOS2CA1CA2CA4 | |
| SCHEMBL15534260 | 0.68 | CA1 (0.31) | CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL991508 | 0.67 | CA1 (0.42) | CA1CA2CA4 | |
| SCHEMBL26214980 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023066357-A1 | FUSED CYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2023-04-27 | — | — | WO | disclosed |
| WO-2023066371-A1 | NITROGEN-CONTAINING TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2023-04-27 | — | — | WO | disclosed |