Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 14/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 9/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | PRKCG | P05129 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | LYN | P07948 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28306332 | 0.75 | SCN9A (0.71) | SCN9AKCNH2SCN5AKDRCHEK1 | |
| SCHEMBL4630887 | 0.74 | GSK3A (0.53) | HSP90AA1KDRGSK3ACDK9CDK5 | |
| SCHEMBL28038987 | 0.73 | HSP90AA1 (0.54) | SCN9AHSP90AA1KDRGSK3ACDK9 | |
| Hydrochloric Acid SCHEMBL7857018 | 0.72 | GSK3A (0.51) | HSP90AA1KDRGSK3ACDK9CDK5 | |
| SCHEMBL23780649 | 0.69 | SCN9A (0.72) | SCN9AKCNH2SCN5ACDK9IKBKB | |
| SCHEMBL18594621 | 0.69 | SCN9A (0.67) | SCN9AKCNH2SCN5ACHEK1IKBKB | |
| SCHEMBL4666187 | 0.69 | RAD52 (0.59) | HSP90AA1KDRNPC1MAPTRAB9A | |
| SCHEMBL28305201 | 0.69 | SCN9A (0.57) | SCN9AKCNH2SCN5AKDRCHEK1 | |
| SCHEMBL3325929 | 0.69 | — | — | |
| SCHEMBL17501771 | 0.68 | ITK (0.50) | SCN9AKCNH2SCN5AKDRGSK3A |
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-109890816-A | novel pyrimidine derivatives having antimalarial activity | 卡尔那生物科学株式会社 | 2019-06-14 | — | — | CN | disclosed |