Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.54 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.54 |
| ▸ | HTR3B | O95264 | 1/20 | 0.54 |
| ▸ | HTR3A | P46098 | 1/20 | 0.54 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.54 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CCR3 | P51677 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29128744 | 0.85 | ALDH1A1 (0.76) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL29200443 | 0.83 | ALDH1A1 (0.66) | ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL29128696 | 0.82 | KMT2A (0.58) | PYGLALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL29200450 | 0.78 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL31078153 | 0.76 | ALDH1A1 (0.59) | PYGLALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL3757797 | 0.76 | KMT2A (0.73) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL3870167 | 0.75 | KMT2A (0.60) | PYGLALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL29128677 | 0.75 | TDP1 (0.43) | ALDH1A1KMT2AMEN1MAPTHTT | |
| SCHEMBL20597116 | 0.74 | ALDH1A1 (0.57) | PYGLALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL30116178 | 0.74 | ALDH1A1 (0.57) | PYGLALDH1A1CYP1A2CYP2C19KMT2A |
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-117263873-A | 1, 4-benzodiazepine compounds and application thereof in preparation of antitumor drugs | 复旦大学 | 2023-12-22 | — | — | CN | disclosed |