Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29015021 | 1.00 | KCNH2 (0.60) | KCNH2KMT2ACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL29014986 | 0.86 | KCNH2 (0.62) | KCNH2KMT2ABRD4NPSR1LMNA | |
| SCHEMBL30450307 | 0.86 | KCNH2 (0.62) | KCNH2KMT2ABRD4NPSR1LMNA | |
| SCHEMBL29014967 | 0.85 | KCNH2 (0.63) | KCNH2KMT2ANPSR1LMNAHTT | |
| SCHEMBL30451554 | 0.85 | KCNH2 (0.63) | KCNH2KMT2ANPSR1LMNAHTT | |
| SCHEMBL30451069 | 0.84 | KCNH2 (0.62) | KCNH2KMT2ABRD4NPSR1LMNA | |
| SCHEMBL29014998 | 0.84 | KCNH2 (0.62) | KCNH2KMT2ABRD4NPSR1LMNA | |
| SCHEMBL29015012 | 0.81 | KCNH2 (0.71) | KCNH2KMT2ANPSR1LMNAHTT | |
| SCHEMBL29014981 | 0.81 | KCNH2 (0.61) | KCNH2KMT2ACHEK2FYN | |
| SCHEMBL30450304 | 0.81 | KCNH2 (0.61) | KCNH2KMT2ACHEK2FYN |
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-116253687-A | Diaryl pyrimidine compound and preparation method and application thereof | 复旦大学 | 2023-06-13 | — | — | CN | disclosed |