Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22692566 | 0.90 | ALDH1A1 (0.58) | ALDH1A1MAPTHPGDHSD17B10ATM | |
| SCHEMBL18430149 | 0.87 | ALDH1A1 (0.55) | ALDH1A1MAPTHPGDHSD17B10ATM | |
| SCHEMBL21445354 | 0.87 | ALDH1A1 (0.55) | ALDH1A1MAPTHPGDHSD17B10ATM | |
| SCHEMBL7363365 | 0.85 | ALDH1A1 (0.53) | ALDH1A1MAPTHPGDHSD17B10ATM | |
| SCHEMBL7332996 | 0.85 | ALDH1A1 (0.53) | ALDH1A1MAPTHPGDHSD17B10ATM | |
| SCHEMBL18510020 | 0.84 | ALDH1A1 (0.56) | ALDH1A1MAPTHPGDHSD17B10ATM | |
| SCHEMBL29577590 | 0.82 | CTSK (0.55) | MAPTCTSBCTSKCTSLCTSS | |
| SCHEMBL6982935 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTHPGDHSD17B10ATM | |
| SCHEMBL18510018 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTHPGDHSD17B10ATM | |
| SCHEMBL6963655 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTHPGDHSD17B10ATM |
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-113072456-B | Chiral alpha-difluoromethyl amino acid compound and preparation method thereof | 中国科学技术大学 | 2022-04-19 | — | — | CN | disclosed |