Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20195153 | 0.81 | GAA (0.39) | PLK1TRPA1ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL19415763 | 0.79 | TRPA1 (0.42) | PLK1TRPA1ESR1ESR2RAPGEF4 | |
| SCHEMBL4518402 | 0.79 | PLK1 (0.59) | PLK1ALDH1A1NR1H4EGFRGAA | |
| SCHEMBL20219212 | 0.78 | TRPA1 (0.41) | PLK1TRPA1ESR1ESR2RAPGEF4 | |
| SCHEMBL20194393 | 0.77 | TRPA1 (0.34) | PLK1TRPA1ESR1ESR2RAPGEF4 | |
| SCHEMBL19248818 | 0.77 | L3MBTL1 (0.42) | ALDH1A1SMN1; SMN2RARB | |
| SCHEMBL19311402 | 0.75 | TRPA1 (0.38) | TRPA1ESR1ESR2RAPGEF4ALOX5 | |
| SCHEMBL23220912 | 0.75 | TRPA1 (0.38) | PLK1TRPA1ESR1ESR2RAPGEF4 | |
| SCHEMBL20220178 | 0.75 | PLK1 (0.59) | PLK1ALDH1A1CYP2A6GAAMAPT | |
| SCHEMBL5502090 | 0.73 | ALDH1A1 (0.49) | PLK1ALDH1A1GAAMAPTPKM |
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-3896056-A1 | AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2021-10-20 | — | — | EP | disclosed |