Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.69 |
| ▸ | MEN1 | O00255 | 7/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9468747 | 0.88 | KMT2A (0.82) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL18500908 | 0.88 | ALDH1A1 (0.74) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL29128682 | 0.85 | PYGL (0.56) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL29128655 | 0.83 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL2011023 | 0.82 | MEN1 (1.00) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL18499223 | 0.82 | ALDH1A1 (0.65) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL29200443 | 0.81 | ALDH1A1 (0.66) | ALDH1A1KMT2AMEN1SMN1; SMN2MAPT | |
| SCHEMBL14192656 | 0.80 | KMT2A (0.82) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL12300221 | 0.80 | MEN1 (0.82) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL8421101 | 0.80 | KMT2A (0.68) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 |
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 |