Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1952044 | 1.00 | NOS1 (0.38) | NOS1NOS3NOS2LTA4HSLC1A3 | |
| SCHEMBL78923 | 1.00 | NOS1 (0.38) | NOS1NOS3NOS2LTA4HSLC1A3 | |
| SCHEMBL78924 | 1.00 | NOS1 (0.38) | NOS1NOS3NOS2LTA4HSLC1A3 | |
| Hydrochloric Acid SCHEMBL311371 | 0.98 | NOS1 (0.37) | NOS1NOS3NOS2LTA4HSLC1A3 | |
| Hydrochloric Acid SCHEMBL78220 | 0.98 | NOS1 (0.37) | NOS1NOS3NOS2LTA4HSLC1A3 | |
| Hydrochloric Acid SCHEMBL1951786 | 0.98 | NOS1 (0.37) | NOS1NOS3NOS2LTA4HSLC1A3 | |
| Acetic Acid SCHEMBL5167209 | 0.94 | SLC7A5 (0.38) | NOS1NOS3NOS2LTA4HSLC1A3 | |
| SCHEMBL569252 | 0.84 | NOS1 (0.39) | NOS1NOS3NOS2LTA4HSLC1A3 | |
| SCHEMBL3294154 | 0.84 | NOS1 (0.42) | NOS1NOS3NOS2LTA4HSLC1A3 | |
| SCHEMBL20503360 | 0.84 | DGAT1 (0.32) | NOS1NOS3NOS2SLC1A3SLC1A2 |
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-116710451-A | Novel aryl-pyrido-pyrimidin-one derivatives | 豪夫迈·罗氏有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-110678177-B | Pyrazole MAGL inhibitors | H.隆德贝克有限公司 | 2023-06-13 | — | — | CN | disclosed |