Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9699967 | 0.91 | ADORA2A (0.56) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL9698667 | 0.91 | ADORA3 (0.47) | ADORA3ADORA1ALDH1A1KDM4EHTT | |
| SCHEMBL9700059 | 0.89 | ADORA2A (0.58) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL9698867 | 0.89 | ADORA2A (0.48) | ADORA3ADORA1ALDH1A1KDM4EHTT | |
| SCHEMBL9698515 | 0.88 | ADORA3 (0.50) | ADORA3ADORA1ALDH1A1KDM4EHTT | |
| SCHEMBL9698529 | 0.88 | ADORA2A (0.58) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL9699073 | 0.88 | ADORA3 (0.46) | ADORA3ADORA1ALDH1A1KDM4EHTT | |
| SCHEMBL9698283 | 0.87 | ADORA2A (0.59) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL9697487 | 0.87 | ADORA2A (0.59) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL9699179 | 0.87 | ADORA2A (0.59) | ADORA3ADORA1ADORA2AADORA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5126361-A | Antitumor agentss | YAMASA SHOYU KABUSHIKI KAISHA (JP) | 1992-06-30 | — | — | US | disclosed |
| US-5059590-A | Antitumor agents | YAMASA SHOYU KABUSHIKI KAISHA (JP) | 1991-10-22 | — | — | US | disclosed |