Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 3/20 | 0.35 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.35 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | PDE2A | O00408 | 2/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6010018 | 0.85 | ADORA2A (0.38) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL24284144 | 0.80 | TSHR (0.38) | ALDH1A1XDHENPP1TSHREGLN2 | |
| SCHEMBL19352648 | 0.71 | PI4KA (0.35) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL10248850 | 0.69 | PDE2A (0.42) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL24284140 | 0.69 | MBOAT4 (0.36) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL13201570 | 0.67 | PDE2A (0.41) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL363210 | 0.66 | KDM4E (0.54) | ALDH1A1ADORA1ADORA3TSHR | |
| SCHEMBL14793764 | 0.65 | EGLN2 (0.39) | ALDH1A1XDHENPP1EGLN2 | |
| SCHEMBL16664210 | 0.65 | NUDT1 (0.41) | ADORA2ATSHR | |
| SCHEMBL11146247 | 0.65 | KDM4E (0.42) | ALDH1A1PI4KAPI4K2BPI4K2API4KB |
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-2022042331-A1 | HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2022-03-03 | — | — | WO | disclosed |