Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.66 |
| ▸ | HMGCR | P04035 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29220972 | 1.00 | HTT (0.66) | HTTHMGCRCYP3A4HPGDMEN1 | |
| SCHEMBL25011153 | 0.84 | CYP3A4 (0.51) | HTTCYP3A4HPGDMEN1KMT2A | |
| SCHEMBL13596107 | 0.83 | HTT (0.66) | HTTHMGCRCYP3A4HPGDMEN1 | |
| SCHEMBL48212 | 0.82 | HTT (0.64) | HTTHMGCRCYP3A4HPGDMEN1 | |
| SCHEMBL30398255 | 0.80 | HTT (1.00) | HTTHMGCRCYP3A4HPGDKMT2A | |
| SCHEMBL3661837 | 0.80 | HTT (1.00) | HTTHMGCRCYP3A4HPGDKMT2A | |
| SCHEMBL3959266 | 0.80 | HTT (0.60) | HTTHMGCRCYP3A4HPGDMEN1 | |
| SCHEMBL3957202 | 0.80 | HTT (0.69) | HTTHMGCRCYP3A4HPGDMEN1 | |
| SCHEMBL47985 | 0.78 | HTT (0.58) | HTTHMGCRCYP3A4HPGDMEN1 | |
| SCHEMBL14780513 | 0.78 | HTT (0.81) | HTTHMGCRCYP3A4HPGDMEN1 |
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-117603127-A | Novel chalcone derivative containing nitrogen heterocycle, and preparation method and application thereof | 新疆医科大学 | 2024-02-27 | — | — | CN | disclosed |