Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28702870 | 0.97 | S100A4 (0.40) | S100A4GPR35ERN1MEN1LMNA | |
| Potassium SCHEMBL30589383 | 0.95 | S100A4 (0.39) | S100A4GPR35ERN1MEN1LMNA | |
| Ammonia Solution, Strong SCHEMBL28932267 | 0.95 | S100A4 (0.39) | S100A4GPR35ERN1MEN1LMNA | |
| SCHEMBL28683122 | 0.95 | S100A4 (0.39) | S100A4GPR35ERN1MEN1LMNA | |
| SCHEMBL30589389 | 0.95 | S100A4 (0.39) | S100A4GPR35ERN1MEN1LMNA | |
| Hydroxyamine SCHEMBL29105099 | 0.93 | S100A4 (0.38) | S100A4GPR35ERN1MEN1LMNA | |
| SCHEMBL5860030 | 0.87 | S100A4 (0.46) | S100A4GPR35MEN1LMNAHTT | |
| SCHEMBL20985115 | 0.84 | S100A4 (0.48) | S100A4GPR35MEN1LMNAHTT | |
| SCHEMBL1502113 | 0.84 | S100A4 (0.48) | S100A4GPR35MEN1LMNAHTT | |
| Water SCHEMBL3516244 | 0.81 | S100A4 (0.46) | S100A4GPR35MEN1LMNAHTT |
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 |