Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KRAS | P01116 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23514188 | 1.00 | EGFR (0.45) | EGFRCYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL23513934 | 1.00 | EGFR (0.45) | EGFRCYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL29653805 | 1.00 | EGFR (0.45) | EGFRCYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL29653710 | 0.85 | KCNH2 (0.48) | EGFRCYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL4535279 | 0.85 | KCNH2 (0.48) | EGFRCYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL23500961 | 0.85 | KCNH2 (0.48) | EGFRCYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL23513886 | 0.80 | TLR7 (0.47) | EGFRCYP2D6APPHRH4TLR8 | |
| SCHEMBL29653748 | 0.80 | TLR7 (0.47) | EGFRCYP2D6APPHRH4TLR8 | |
| SCHEMBL23513908 | 0.78 | NLRP3 (0.65) | CYP2D6DRD1HTR2AADORA1APP | |
| SCHEMBL23513931 | 0.78 | NLRP3 (0.65) | CYP2D6DRD1HTR2AADORA1APP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114555565-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-03-05 | — | — | CN | disclosed |
| CN-114555565-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2022-05-27 | — | — | CN | disclosed |