Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PLA2G2C | Q5R387 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | P2RY10 | O00398 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL13937592 | 0.84 | CES2 (0.53) | HTTCYP1A2CYP3A4CYP2C19PLA2G2C | |
| SCHEMBL1287187 | 0.83 | NOS3 (0.58) | HSD17B10NOS3NOS1NOS2TDP1 | |
| SCHEMBL11413953 | 0.83 | NOS3 (0.58) | HSD17B10NOS3NOS1NOS2TDP1 | |
| SCHEMBL24633956 | 0.83 | NOS3 (0.58) | HSD17B10NOS3NOS1NOS2TDP1 | |
| SCHEMBL683686 | 0.79 | TDP1 (0.43) | HSD17B10NOS3NOS1NOS2TDP1 | |
| SCHEMBL419528 | 0.79 | TDP1 (0.43) | HSD17B10NOS3NOS1NOS2TDP1 | |
| SCHEMBL7359495 | 0.79 | HSD17B10 (0.43) | HSD17B10NOS3NOS1NOS2TDP1 | |
| SCHEMBL10187564 | 0.79 | NOS3 (0.42) | NOS3NOS1NOS2ALDH1A1KDM4E | |
| SCHEMBL2632650 | 0.78 | NOS3 (0.41) | NOS3NOS1NOS2TDP1PLA2G2C | |
| SCHEMBL12965970 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023214576-A1 | CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS | 中外製薬株式会社 | 2023-11-09 | — | — | WO | disclosed |