Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 7/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 7/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 7/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 7/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 7/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28688867 | 0.97 | TSHR (0.46) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| SCHEMBL29105094 | 0.95 | TSHR (0.44) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| SCHEMBL30589392 | 0.95 | TSHR (0.44) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| Ammonia Solution, Strong SCHEMBL30589376 | 0.95 | TSHR (0.44) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| SCHEMBL30589375 | 0.95 | TSHR (0.44) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| Hydroxyamine SCHEMBL30589377 | 0.93 | TSHR (0.43) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| SCHEMBL28666838 | 0.87 | S100A4 (0.46) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| SCHEMBL1502113 | 0.84 | S100A4 (0.48) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| SCHEMBL20985115 | 0.84 | S100A4 (0.48) | TSHRGPR35GRIN2DGRIN3BGRIN1 | |
| Water SCHEMBL3516244 | 0.81 | S100A4 (0.46) | TSHRGPR35GRIN2DGRIN3BGRIN1 |
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-113264837-B | Energetic ion salt of 3, 5-dihydroxy-2, 4, 6-trinitrobenzene derivative and preparation method thereof | 信阳师范学院 | 2023-09-29 | — | — | CN | disclosed |
| CN-113264837-A | Energetic ionic salt of 3, 5-dihydroxy-2, 4, 6-trinitrobenzene derivative and preparation method thereof | 信阳师范学院 | 2021-08-17 | — | — | CN | disclosed |