Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MPO | P05164 | 2/20 | 0.39 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29028699 | 0.89 | MEN1 (0.39) | ALDH1A1KDM4ENPSR1ADORA3ADORA2A | |
| SCHEMBL29028704 | 0.84 | MEN1 (0.45) | ALDH1A1KDM4ENPSR1MEN1KMT2A | |
| SCHEMBL29028724 | 0.83 | SMN1; SMN2 (0.46) | NPSR1ADORA3ADORA2AMEN1KMT2A | |
| SCHEMBL29028700 | 0.83 | MPO (0.47) | ALDH1A1KDM4ENPSR1MEN1KMT2A | |
| SCHEMBL29028711 | 0.83 | MPO (0.55) | ALDH1A1KDM4EMAPTSMN1; SMN2MPO | |
| SCHEMBL30473333 | 0.83 | MPO (0.55) | ALDH1A1KDM4EMAPTSMN1; SMN2MPO | |
| SCHEMBL29028732 | 0.81 | MPO (0.45) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL28748643 | 0.78 | KDM4E (0.46) | KDM4EADORA3ADORA2AMAPTSMN1; SMN2 | |
| SCHEMBL29028690 | 0.76 | MAPT (0.39) | ALDH1A1KDM4EMAPTBCAT1PDE10A | |
| SCHEMBL29028696 | 0.76 | CSNK2A1 (0.40) | ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2 |
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-116332851-A | Cyanomethyl phenyl indazole compound and preparation method thereof | 河南中医药大学 | 2023-06-27 | — | — | CN | disclosed |