Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F12 | P00748 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 11/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | EIF4E | P06730 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25035787 | 0.85 | F12 (0.35) | F12KMT2AADORA2AADORA1DHODH | |
| SCHEMBL29155062 | 0.84 | ADORA3 (0.46) | KMT2AADORA2AADORA1 | |
| SCHEMBL21753512 | 0.82 | KMT2A (0.39) | KMT2AADORA2AADORA1ACHE | |
| SCHEMBL23882469 | 0.77 | MET (0.39) | NTRK1DHODHEIF4E | |
| SCHEMBL19207117 | 0.74 | CSNK1D (0.44) | DHODH | |
| SCHEMBL25035782 | 0.72 | CYP1A2 (0.39) | KMT2AADORA2AADORA1 | |
| SCHEMBL29902500 | 0.72 | ADORA2A (0.42) | ADORA2AADORA1TGFBR1 | |
| SCHEMBL29155052 | 0.71 | ADORA3 (0.43) | ADORA2AADORA1 | |
| SCHEMBL25224762 | 0.70 | GABRA5 (0.36) | DHODHGRM5EIF4E | |
| SCHEMBL30174181 | 0.70 | GABRA5 (0.36) | DHODHGRM5EIF4E |
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-117561260-A | Heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-02-13 | — | — | CN | disclosed |
| WO-2023016296-A1 | HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2023-02-16 | — | — | WO | disclosed |