Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 5/20 | 0.46 |
| ▸ | SCD | O00767 | 1/20 | 0.43 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.43 |
| ▸ | CPT2 | P23786 | 1/20 | 0.42 |
| ▸ | CPT1A | P50416 | 1/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17093004 | 0.84 | RIPK1 (0.51) | RIPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL29892075 | 0.82 | AGTR2 (0.47) | RIPK1 | |
| SCHEMBL5078499 | 0.82 | HSP90AA1 (0.56) | RIPK1BACE1MAOAMAOBHSD11B1 | |
| SCHEMBL20178195 | 0.81 | SLC6A9 (0.52) | ROCK2SLC6A9 | |
| SCHEMBL5820416 | 0.81 | RBP4 (0.52) | GAAKDM4ERIPK1SCD5ALDH1A1 | |
| SCHEMBL27839561 | 0.81 | RIPK1 (0.45) | ROCK2GAAKDM4ERIPK1ALDH1A1 | |
| SCHEMBL634686 | 0.81 | RIPK1 (0.45) | ROCK2GAAKDM4ERIPK1ALDH1A1 | |
| SCHEMBL27195151 | 0.81 | SIGMAR1 (0.54) | SMN1; SMN2 | |
| SCHEMBL3320304 | 0.80 | HCAR2 (0.42) | KDM4EALDH1A1 | |
| SCHEMBL16964986 | 0.80 | RIPK1 (0.48) | RIPK1ALDH1A1SMN1; SMN2HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022237747-A1 | SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF | 四川海思科制药有限公司 | 2022-11-17 | — | — | WO | disclosed |