Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | HTT | P42858 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | PGR | P06401 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.67 |
| ▸ | PDE4A | P27815 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | HRH1 | P35367 | 1/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.67 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.67 |
| ▸ | NOS2 | P35228 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | POLB | P06746 | 3/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL2533157 | 1.00 | ALDH1A1 (0.67) | ALDH1A1HTTCYP1A2CYP2C19LMNA | |
| SCHEMBL8081475 | 0.92 | MAPT (0.65) | ALDH1A1HTTCYP1A2CYP2C19LMNA | |
| SCHEMBL1536676 | 0.89 | ALDH1A1 (0.69) | ALDH1A1HTTCYP1A2CYP2C19LMNA | |
| SCHEMBL5121593 | 0.86 | MAPT (0.62) | ALDH1A1HTTCYP1A2CYP2C19LMNA | |
| SCHEMBL10952466 | 0.86 | HTT (0.58) | ALDH1A1HTTCYP1A2CYP2C19LMNA | |
| SCHEMBL29379915 | 0.86 | MAPT (0.66) | ALDH1A1HTTCYP1A2CYP2C19LMNA | |
| SCHEMBL1820102 | 0.86 | POLB (0.71) | ALDH1A1HTTCYP1A2CYP2C19LMNA | |
| SCHEMBL14740763 | 0.86 | MAPT (0.66) | ALDH1A1HTTCYP1A2CYP2C19LMNA | |
| SCHEMBL31366556 | 0.86 | HTT (0.58) | ALDH1A1HTTCYP1A2CYP2C19LMNA | |
| SCHEMBL3480945 | 0.83 | ALDH1A1 (0.71) | ALDH1A1HTTCYP1A2CYP2C19LMNA |
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-119072467-A | Novel diazapine compounds targeting yellow fever virus non-structural 4B (NS 4B) protein and methods of use thereof | 巴鲁克斯布伦博格研究所 | 2024-12-03 | — | — | CN | disclosed |