Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.42 |
| ▸ | FEN1 | P39748 | 3/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10427641 | 1.00 | ADRA1A (0.43) | ADRA1AADRA1BALDH1A1GABRG2GABRB3 | |
| SCHEMBL29669833 | 1.00 | ADRA1A (0.43) | ADRA1AADRA1BALDH1A1GABRG2GABRB3 | |
| SCHEMBL30719203 | 0.83 | HTT (0.41) | ALDH1A1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL5337044 | 0.82 | ADRA1A (0.43) | ADRA1AADRA1BALDH1A1MEN1KMT2A | |
| SCHEMBL31070227 | 0.79 | GRIA1 (0.51) | ALDH1A1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL30102603 | 0.79 | GRIA1 (0.51) | ALDH1A1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL973015 | 0.79 | GRIA1 (0.51) | ALDH1A1GABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL12853973 | 0.78 | ALOX5AP (0.50) | ADRA1AADRA1BALDH1A1MEN1CYP1A2 | |
| SCHEMBL12853984 | 0.78 | ALOX5AP (0.50) | ADRA1AADRA1BALDH1A1MEN1CYP1A2 | |
| SCHEMBL28622199 | 0.78 | GRM5 (0.41) | ALDH1A1CYP1A2HPGDMETAP2KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117597345-A | Heterocyclic derivatives as CaMKK2 inhibitors | 百时美施贵宝公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-117500503-A | Combination therapy comprising an A2A/A2B inhibitor, a PD-1/PD-L1 inhibitor and an anti-CD 73 antibody | 因赛特公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-117304191-A | Fused pyrazine derivatives as A2A/A2B inhibitors | 因赛特公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-115551595-A | Combination therapy of a CD73 inhibitor and an A2A/A2B adenosine receptor inhibitor | 因赛特公司 | 2022-12-30 | — | — | CN | disclosed |