Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.33 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | PNP | P00491 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9805278 | 0.86 | ALDH1A1 (0.41) | ALDH1A1LMNATDP1GSK3BADORA3 | |
| SCHEMBL9805184 | 0.84 | GSK3B (0.38) | ALDH1A1LMNATDP1GSK3BADORA3 | |
| SCHEMBL9805128 | 0.83 | GSK3B (0.49) | GSK3BADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL9805093 | 0.82 | PI4KA (0.39) | ALDH1A1LMNATDP1ADORA3ADORA1 | |
| SCHEMBL9805198 | 0.80 | PI4KA (0.49) | ALDH1A1LMNATDP1ADORA3ADORA1 | |
| SCHEMBL9805407 | 0.80 | ADORA3 (0.35) | ALDH1A1LMNATDP1GSK3BADORA3 | |
| SCHEMBL9805346 | 0.80 | ADORA3 (0.35) | ALDH1A1LMNATDP1GSK3BADORA3 | |
| SCHEMBL9805214 | 0.80 | ADORA3 (0.35) | ALDH1A1LMNATDP1GSK3BADORA3 | |
| SCHEMBL9805265 | 0.78 | PI4KA (0.39) | ALDH1A1LMNATDP1GSK3BADORA3 | |
| SCHEMBL9805190 | 0.78 | PI4KA (0.39) | ALDH1A1LMNATDP1GSK3BADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5041542-A | Antitumor-anticarcinogenic agents | NUCLEIC ACID RESEARCH INSTITUTE (US) | 1991-08-20 | — | — | US | disclosed |