Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 7/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.51 |
| ▸ | MAPT | P10636 | 7/20 | 0.51 |
| ▸ | HTT | P42858 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | XBP1 | P17861 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11263484 | 0.89 | MEN1 (0.52) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL9588169 | 0.80 | MEN1 (0.52) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL9348667 | 0.79 | MAPT (0.52) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL11522897 | 0.79 | CYP3A4 (0.65) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL29128636 | 0.78 | MAPT (0.54) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL3307725 | 0.77 | KMT2A (0.64) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL358946 | 0.77 | HTT (0.61) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL31171019 | 0.77 | HTT (0.61) | MEN1KMT2AMAPTHTTLMNA | |
| SCHEMBL29128708 | 0.75 | MAPT (0.56) | MEN1KMT2AMAPTHTTGAA | |
| SCHEMBL9011847 | 0.75 | KMT2A (0.53) | MEN1KMT2AMAPTHTTLMNA |
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 |