Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.76 |
| ▸ | HTT | P42858 | 6/20 | 0.75 |
| ▸ | HPGD | P15428 | 2/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.75 |
| ▸ | LMNA | P02545 | 4/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29191019 | 1.00 | ALDH1A1 (0.76) | ALDH1A1HTTHPGDCYP1A2CYP3A4 | |
| SCHEMBL29191021 | 0.85 | MAPK7 (0.71) | ALDH1A1HTTHPGDCYP1A2CYP3A4 | |
| SCHEMBL29191072 | 0.84 | MEN1 (0.70) | ALDH1A1HTTHPGDCYP1A2CYP3A4 | |
| SCHEMBL22504407 | 0.81 | HTT (1.00) | ALDH1A1HTTHPGDCYP1A2CYP3A4 | |
| SCHEMBL29190998 | 0.80 | MEN1 (0.71) | ALDH1A1HTTHPGDCYP1A2CYP3A4 | |
| SCHEMBL29191076 | 0.79 | MEN1 (0.73) | ALDH1A1HTTLMNAMEN1KMT2A | |
| SCHEMBL29191064 | 0.78 | AKR1C3 (0.71) | ALDH1A1HTTHPGDLMNAMEN1 | |
| SCHEMBL13842376 | 0.77 | ALDH1A1 (0.72) | ALDH1A1HTTHPGDCYP1A2CYP3A4 | |
| SCHEMBL29191009 | 0.77 | MEN1 (0.67) | ALDH1A1HTTHPGDLMNASMN1; SMN2 | |
| SCHEMBL29190964 | 0.77 | MEN1 (0.52) | ALDH1A1HTTHPGDCYP1A2CYP3A4 |
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-117886734-A | Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof | 中国药科大学 | 2024-04-16 | — | — | CN | disclosed |