Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.50 |
| ▸ | TOP1 | P11387 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23258136 | 0.81 | KIF11 (0.50) | KIF11NPC1TRPV1HDAC4DHODH | |
| SCHEMBL28289136 | 0.80 | CTSS (0.53) | MAOBNPY5RSCN2A | |
| SCHEMBL3458918 | 0.78 | NPY5R (0.47) | TOP1NPC1MAOBNPY5RHDAC4 | |
| SCHEMBL28210972 | 0.78 | NPY5R (0.42) | KIF11NPC1NPY5R | |
| SCHEMBL1456246 | 0.77 | MAPT (0.46) | NPC1HDAC4DHODH | |
| SCHEMBL28211564 | 0.77 | SCN5A (0.49) | NPC1NPY5RNISCHSCN2A | |
| SCHEMBL26135623 | 0.77 | NPSR1 (0.43) | KIF11NPC1TRPV1NPY5R | |
| SCHEMBL13458062 | 0.75 | GABRA1 (0.52) | NPC1HDAC4DHODH | |
| SCHEMBL28211548 | 0.75 | TRPV4 (0.43) | — | |
| SCHEMBL121970 | 0.74 | RAB9A (0.50) | NPC1HDAC4DHODH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458952-B | Heterocycle sulfamide derivatives and drug containing the heterocycle sulfamide derivatives | EA制药株式会社 | 2019-09-27 | — | — | CN | disclosed |
| CN-106061974-B | Maleimide derivatives as the conditioning agent of WNT approach | 新加坡科技研究局 | 2018-04-20 | — | — | CN | disclosed |
| CN-107849029-A | Cyclopropane derivatives and drugs containing the same | EA制药株式会社 | 2018-03-27 | — | — | CN | disclosed |