Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | PPARA | Q07869 | 3/20 | 0.58 |
| ▸ | PPARG | P37231 | 1/20 | 0.58 |
| ▸ | PPARD | Q03181 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.57 |
| ▸ | AR | P10275 | 1/20 | 0.57 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2554889 | 0.84 | ALDH1A1 (0.63) | PTGS1ALDH1A1PPARAPPARGPPARD | |
| SCHEMBL29368253 | 0.84 | ALDH1A1 (0.63) | PTGS1ALDH1A1PPARAPPARGPPARD | |
| SCHEMBL22108797 | 0.82 | PLK1 (0.50) | ALDH1A1PPARAPPARGALOX5MEN1 | |
| SCHEMBL5195645 | 0.81 | PLK1 (0.49) | ALDH1A1PPARAPPARGALOX5MEN1 | |
| SCHEMBL22109001 | 0.79 | PPARG (0.56) | ALDH1A1PPARAPPARGALOX5MEN1 | |
| SCHEMBL19919385 | 0.79 | ALDH1A1 (0.65) | PTGS1ALDH1A1PPARAPPARGPPARD | |
| SCHEMBL18285656 | 0.77 | ALDH1A1 (0.46) | ALDH1A1PPARAPPARGALOX5MEN1 | |
| SCHEMBL3958942 | 0.77 | PLK1 (0.49) | PTGS1ALDH1A1PPARAPPARGPPARD | |
| SCHEMBL30854401 | 0.77 | PPARA (0.54) | ALDH1A1PPARAPPARGPPARDALOX5 | |
| SCHEMBL12064688 | 0.77 | ALDH1A1 (0.61) | PTGS1ALDH1A1PPARAPPARGPPARD |
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 |