Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA2 | Q9HCG7 | 8/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 2/20 | 0.41 |
| ▸ | UGCG | Q16739 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MGAM | O43451 | 2/20 | 0.41 |
| ▸ | SI | P14410 | 2/20 | 0.41 |
| ▸ | AGL | P35573 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GLB1 | P16278 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3265496 | 0.94 | S1PR1 (0.50) | GBA2S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL4229106 | 0.94 | GBA2 (0.46) | GBA2S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL2850065 | 0.88 | S1PR1 (0.47) | GBA2S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL3428819 | 0.86 | S1PR1 (0.49) | GBA2S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL10590808 | 0.86 | S1PR1 (0.49) | GBA2S1PR1S1PR3S1PR5S1PR4 | |
| Methane SCHEMBL6600535 | 0.85 | S1PR1 (0.48) | GBA2S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL27675556 | 0.81 | GBA1 (0.43) | S1PR1S1PR3S1PR5GBA1GAA | |
| SCHEMBL1360772 | 0.81 | OPRD1 (0.36) | GBA2S1PR1S1PR3S1PR5S1PR4 | |
| Pyrrolidine SCHEMBL4393172 | 0.79 | GBA1 (0.43) | GBA2S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL1360771 | 0.79 | S1PR1 (0.34) | GBA2S1PR1S1PR3S1PR5S1PR4 |
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-106660970-A | Quinazoline derivative | 石药集团中奇制药技术（石家庄）有限公司 | 2017-05-10 | — | — | CN | disclosed |