Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 6/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30616757 | 0.93 | SIGMAR1 (0.43) | DRD4GRM2SIGMAR1KCNH2MCHR1 | |
| SCHEMBL30616711 | 0.88 | GRM2 (0.41) | DRD4GRM2ALDH1A1KCNH2PARP1 | |
| SCHEMBL29137184 | 0.88 | DRD2 (0.40) | DRD4ALDH1A1MAPT | |
| SCHEMBL29137283 | 0.87 | DRD4 (0.38) | DRD4GRM2ALDH1A1SIGMAR1KCNH2 | |
| SCHEMBL30616722 | 0.85 | GRM2 (0.44) | DRD4GRM2ALDH1A1HTTKCNH2 | |
| SCHEMBL30616679 | 0.85 | GRM2 (0.45) | DRD4GRM2ALDH1A1HTTSIGMAR1 | |
| SCHEMBL29137205 | 0.84 | ALDH1A1 (0.49) | DRD4ALDH1A1HTTKCNH2CYP3A4 | |
| SCHEMBL30616712 | 0.83 | GRM2 (0.44) | DRD4GRM2ALDH1A1KCNH2PARP1 | |
| SCHEMBL29137279 | 0.83 | DRD2 (0.43) | DRD4ALDH1A1NPSR1HTR1AMAPT | |
| SCHEMBL30616746 | 0.82 | GRM2 (0.41) | DRD4GRM2ALDH1A1HTTKCNH2 |
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-112585139-B | Naphthyridinone compounds as T cell activators | 百时美施贵宝公司 | 2023-12-01 | — | — | CN | disclosed |