Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.30 |
| ▸ | EPHB4 | P54760 | 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 | |
|---|---|---|---|---|
| SCHEMBL28892649 | 1.00 | NPC1 (0.35) | NPC1ERBB2EPHA2KDRSMN1; SMN2 | |
| SCHEMBL28892360 | 0.83 | NPC1 (0.34) | NPC1ERBB2EPHA2KDRSMN1; SMN2 | |
| SCHEMBL30002604 | 0.83 | NPC1 (0.34) | NPC1ERBB2EPHA2KDRSMN1; SMN2 | |
| SCHEMBL30002747 | 0.82 | LMNA (0.34) | ERBB2EPHA2KDRSMN1; SMN2CYP3A4 | |
| SCHEMBL28892550 | 0.81 | EPHA2 (0.37) | NPC1ERBB2EPHA2KDRSMN1; SMN2 | |
| SCHEMBL30002766 | 0.81 | EPHA2 (0.37) | NPC1ERBB2EPHA2KDRSMN1; SMN2 | |
| SCHEMBL28892774 | 0.80 | KIT (0.35) | NPC1ERBB2EPHA2KDRSMN1; SMN2 | |
| SCHEMBL30002067 | 0.80 | KIT (0.35) | NPC1ERBB2EPHA2KDRSMN1; SMN2 | |
| SCHEMBL30003338 | 0.77 | KIT (0.37) | NPC1ERBB2EPHA2KDRSMN1; SMN2 | |
| SCHEMBL28892739 | 0.77 | KIT (0.35) | NPC1SMN1; SMN2KIT |
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-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |