Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | S100A4 | P26447 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15941655 | 0.80 | BCHE (0.37) | BCHEACHECES1S100A4TSHR | |
| Hydrazine SCHEMBL5753983 | 0.76 | ALDH1A1 (0.44) | BCHEACHECES1S100A4TSHR | |
| SCHEMBL2832432 | 0.75 | BCHE (0.50) | BCHEACHECES1S100A4TSHR | |
| Hydrazine SCHEMBL27667270 | 0.74 | ALDH1A1 (0.42) | BCHEACHECES1S100A4TSHR | |
| SCHEMBL3302919 | 0.73 | TSHR (0.56) | BCHEACHECES1TSHRCYP3A4 | |
| SCHEMBL8973490 | 0.72 | BCHE (0.53) | BCHEACHECES1S100A4TSHR | |
| SCHEMBL2825166 | 0.72 | S100A4 (0.51) | S100A4TSHRCYP3A4TP53HPGD | |
| Urea SCHEMBL9444490 | 0.71 | GPR35 (0.46) | BCHEACHECES1TSHRCYP3A4 | |
| Hydrazine SCHEMBL28157059 | 0.70 | TSHR (0.65) | S100A4TSHRSMN1; SMN2TDP1MAPT | |
| Methyl Alcohol SCHEMBL27689667 | 0.70 | ALDH1A1 (0.44) | BCHEACHECES1S100A4TSHR |
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-118330100-A | Method for detecting 2, 4-dinitrophenylhydrazine compound and extraction head | 红河学院 | 2024-07-12 | — | — | CN | disclosed |
| CN-214374479-U | Online derivatization device for high-resolution mass spectrometry detection | 郑州大学 | 2021-10-08 | — | — | CN | disclosed |