Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | PNP | P00491 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24478743 | 1.00 | PARP1 (0.38) | PARP1ACVR1FLT3SYKAURKB | |
| SCHEMBL30516697 | 0.80 | GRM5 (0.37) | FLT3SYKAURKBNTRK3NTRK1 | |
| SCHEMBL24478613 | 0.80 | GRM5 (0.37) | FLT3SYKAURKBNTRK3NTRK1 | |
| SCHEMBL29631164 | 0.75 | GRM5 (0.34) | FLT3SYKAURKBNTRK3NTRK1 | |
| SCHEMBL22726094 | 0.71 | PARP1 (0.50) | PARP1ACVR1PDPK1CHEK1MAPKAPK2 | |
| SCHEMBL15845996 | 0.70 | PDPK1 (0.57) | PARP1PDPK1MAPKAPK2IP6K1IP6K3 | |
| Hydrochloric Acid SCHEMBL28036620 | 0.69 | PDPK1 (0.56) | PARP1PDPK1MAPKAPK2IP6K1IP6K3 | |
| SCHEMBL24478751 | 0.69 | LDHA (0.42) | — | |
| SCHEMBL30516696 | 0.69 | LDHA (0.42) | — | |
| SCHEMBL24478400 | 0.68 | USP2 (0.35) | AURKACLK4 |
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-116601149-A | Aminoquinazoline derivatives as P2X3 inhibitors | 奇斯药制品公司 | 2023-08-15 | — | — | CN | disclosed |