Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 11/20 | 0.84 |
| ▸ | NOS3 | P29474 | 5/20 | 0.84 |
| ▸ | NOS1 | P29475 | 5/20 | 0.84 |
| ▸ | CNR2 | P34972 | 1/20 | 0.62 |
| ▸ | PPARG | P37231 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29040561 | 1.00 | NOS2 (0.84) | NOS2NOS3NOS1CNR2PPARG | |
| SCHEMBL1711193 | 0.92 | NOS2 (0.73) | NOS2NOS3NOS1CNR2PPARG | |
| SCHEMBL28610365 | 0.92 | NOS2 (0.80) | NOS2NOS3NOS1CNR2PPARG | |
| SCHEMBL5365625 | 0.92 | NOS2 (0.80) | NOS2NOS3NOS1CNR2PPARG | |
| SCHEMBL25497559 | 0.91 | NOS2 (0.79) | NOS2NOS3NOS1CNR2PPARG | |
| SCHEMBL12972476 | 0.90 | NOS2 (0.72) | NOS2NOS3NOS1ATMALDH1A1 | |
| SCHEMBL25497374 | 0.90 | NOS2 (0.69) | NOS2NOS3NOS1CNR2PPARG | |
| SCHEMBL31389148 | 0.90 | NOS2 (0.69) | NOS2NOS3NOS1CNR2PPARG | |
| SCHEMBL31389138 | 0.88 | NOS2 (0.74) | NOS2NOS3NOS1CNR2PPARG | |
| SCHEMBL5947284 | 0.87 | NOS2 (0.72) | NOS2NOS3NOS1CNR2PPARG |
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-116444370-A | Preparation method of alpha, beta-unsaturated carboxylic acid derivative | 大连理工常熟研究院有限公司 | 2023-07-18 | — | — | CN | disclosed |