Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.52 |
| ▸ | MOK | Q9UQ07 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6232831 | 0.94 | KDM4E (0.52) | KDM4EALDH1A1TSHRGAAACHE | |
| SCHEMBL2014741 | 0.89 | KDM4E (0.61) | KDM4EALDH1A1GAAACHEGFER | |
| SCHEMBL7768342 | 0.88 | CHRM3 (0.48) | KDM4EALDH1A1TSHRGAAMOK | |
| SCHEMBL6273594 | 0.84 | ALDH1A1 (0.57) | KDM4EALDH1A1TSHRGAAGFER | |
| SCHEMBL22791958 | 0.83 | BTK (0.45) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5610627 | 0.81 | CACNA1B (0.63) | TSHRGAACACNA1BKMT2AMAPT | |
| SCHEMBL30105719 | 0.81 | HTR1A (0.41) | KDM4EALDH1A1TSHRGAAMEN1 | |
| SCHEMBL27481931 | 0.79 | ACHE (0.56) | KDM4EALDH1A1TSHRGAAACHE | |
| SCHEMBL334483 | 0.79 | L3MBTL1 (0.67) | ALDH1A1TSHRGAAACHEGFER | |
| SCHEMBL20922005 | 0.79 | KDM4E (0.56) | KDM4EALDH1A1 |
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-114878540-A | Derivatization reagents, kits and methods for detecting nerve agents | 中国人民解放军军事科学院军事医学研究院 | 2022-08-09 | — | — | CN | disclosed |