Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.42 |
| ▸ | PYGB | P11216 | 2/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9757575 | 1.00 | ADORA2A (0.42) | ADORA2AADORA2BPYGBAKR1B1GAA | |
| SCHEMBL9757613 | 1.00 | ADORA2A (0.42) | ADORA2AADORA2BPYGBAKR1B1GAA | |
| SCHEMBL9757584 | 0.99 | ADORA2A (0.41) | ADORA2AADORA2BPYGBAKR1B1GAA | |
| SCHEMBL9757699 | 0.91 | AKR1B1 (0.41) | AKR1B1CA1CA2CA9 | |
| SCHEMBL9757865 | 0.90 | AKR1B1 (0.42) | AKR1B1CA1CA2CA9 | |
| SCHEMBL9757745 | 0.88 | AKR1B1 (0.43) | PYGBAKR1B1GAACA1CA2 | |
| SCHEMBL9757541 | 0.86 | AKR1B1 (0.45) | PYGBAKR1B1GAACA1CA2 | |
| SCHEMBL9757601 | 0.83 | AKR1B1 (0.41) | PYGBAKR1B1GAACA1CA2 | |
| SCHEMBL9757560 | 0.83 | AKR1B1 (0.39) | PYGBAKR1B1GAACA1CA2 | |
| SCHEMBL9757583 | 0.83 | AKR1B1 (0.40) | ADORA2APYGBAKR1B1GAAADORA3 |
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-5059590-A | Antitumor agents | YAMASA SHOYU KABUSHIKI KAISHA (JP) | 1991-10-22 | — | — | US | disclosed |