Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21685612 | 0.86 | CYP2C19 (0.40) | CYP2C19ALDH1A1TP53CYP2C9NFKB1 | |
| SCHEMBL21685746 | 0.86 | CYP1A2 (0.42) | CYP2C19ALDH1A1TP53CYP2C9NFKB1 | |
| SCHEMBL21703444 | 0.79 | CYP2C19 (0.43) | CYP2C19ALDH1A1TP53CYP2C9NFKB1 | |
| SCHEMBL25948988 | 0.78 | CYP2C19 (0.41) | CYP2C19ALDH1A1TP53CYP2C9NFKB1 | |
| SCHEMBL21685017 | 0.76 | PDE8B (0.36) | CYP2C19GAAYTHDC1ATRPDE8B | |
| SCHEMBL21685059 | 0.74 | PDE8B (0.37) | CYP2C19GAAYTHDC1ATRPDE8B | |
| SCHEMBL4572213 | 0.73 | CYP2C19 (0.74) | CYP2C19ALDH1A1TP53CYP2C9NFKB1 | |
| SCHEMBL31569297 | 0.73 | CYP2C19 (0.74) | CYP2C19ALDH1A1TP53CYP2C9NFKB1 | |
| SCHEMBL29877869 | 0.72 | CYP2C19 (0.45) | CYP2C19ALDH1A1TP53CYP2C9NFKB1 | |
| SCHEMBL14964663 | 0.72 | CYP2C19 (0.45) | CYP2C19ALDH1A1TP53CYP2C9NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4219460-A1 | TRANSGLUTAMINASE 2 (TG2) INHIBITORS | Sitari Pharma, Inc. (US) | 2023-08-02 | — | — | EP | disclosed |