Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.41 |
| ▸ | NOS2 | P35228 | 6/20 | 0.41 |
| ▸ | NOS1 | P29475 | 5/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 8/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7337621 | 1.00 | NOS3 (0.41) | NOS3NOS2NOS1BACE1KLKB1 | |
| Hydrochloric Acid SCHEMBL17442571 | 0.98 | NOS3 (0.41) | NOS3NOS2NOS1BACE1KLKB1 | |
| Hydrochloric Acid SCHEMBL7823971 | 0.98 | NOS3 (0.41) | NOS3NOS2NOS1BACE1KLKB1 | |
| Trifluoroacetic Acid SCHEMBL18300447 | 0.83 | KLKB1 (0.41) | KLKB1 | |
| SCHEMBL7742237 | 0.83 | HTR1D (0.47) | NOS3NOS2NOS1BACE1 | |
| SCHEMBL14385061 | 0.83 | NOS3 (0.39) | NOS3NOS2NOS1BACE1 | |
| SCHEMBL9696219 | 0.83 | NOS3 (0.45) | NOS3NOS2NOS1BACE1KLKB1 | |
| Trifluoroacetic Acid SCHEMBL17221097 | 0.82 | KLKB1 (0.40) | KLKB1 | |
| SCHEMBL18301317 | 0.81 | NOS3 (0.40) | NOS3NOS2NOS1BACE1KLKB1 | |
| SCHEMBL18368343 | 0.80 | POLB (0.38) | NOS3NOS2NOS1 |
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-117396474-A | Plasma kallikrein inhibitors | 武田药品工业株式会社 | 2024-01-12 | — | — | CN | disclosed |
| CN-113004286-B | Tricyclic compounds as plasma kallikrein inhibitors and uses thereof | 成都康弘药业集团股份有限公司 | 2022-08-12 | — | — | CN | disclosed |