Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.47 |
| ▸ | PI4KA | P42356 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.47 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.47 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.47 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8142876 | 0.79 | RET (0.38) | RETPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL11617352 | 0.79 | ALDH1A1 (0.40) | RETPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL12711925 | 0.76 | ALDH1A1 (0.38) | ALDH1A1PDPK1CYP1A2AURKAMKNK1 | |
| SCHEMBL24995637 | 0.76 | ALDH1A1 (0.38) | ALDH1A1PDPK1CYP1A2ADORA2AADORA1 | |
| SCHEMBL1981095 | 0.76 | RET (0.52) | RETPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL1014920 | 0.75 | XDH (0.55) | RETPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL29487078 | 0.75 | XDH (0.55) | RETPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL13829328 | 0.73 | HTR2C (0.51) | RETPI4KAXDHLRRK2PI4K2B | |
| SCHEMBL1597203 | 0.72 | XDH (0.52) | RETPI4KAXDHLRRK2PI4K2B | |
| Benzene SCHEMBL25427466 | 0.72 | RET (0.52) | RETPI4KAXDHLRRK2PI4K2B |
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-2022002118-A1 | FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF | 四川海思科制药有限公司 | 2022-01-06 | — | — | WO | disclosed |