Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GLB1 | P16278 | 1/20 | 0.32 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24842036 | 0.74 | GBA1 (0.38) | GBA1GLB1DRD3 | |
| SCHEMBL23867111 | 0.72 | GBA1 (0.37) | GBA1GLB1DRD3 | |
| SCHEMBL25645174 | 0.72 | GBA1 (0.46) | GBA1GLB1 | |
| SCHEMBL4724194 | 0.71 | SMN1; SMN2 (0.55) | BCHESMN1; SMN2 | |
| SCHEMBL12049806 | 0.70 | ALDH1A1 (0.41) | SMN1; SMN2 | |
| SCHEMBL1722761 | 0.70 | PDK2 (0.36) | PDCD1CD274PDK2CYP11B1CYP11B2 | |
| SCHEMBL1722759 | 0.70 | PDK2 (0.33) | PDCD1CD274PDK2CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL28336872 | 0.69 | BCHE (0.50) | PARP1GBA1BCHESMN1; SMN2KDM2B | |
| SCHEMBL28031309 | 0.69 | — | — | |
| SCHEMBL9975294 | 0.69 | ATM (0.42) | PARP1BCHESMN1; SMN2KDM2B |
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-2019160882-A1 | PD-1/PD-L1 INHIBITORS | GILEAD SCIENCES, INC. (US) | 2019-08-22 | — | — | WO | disclosed |