Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.76 |
| ▸ | ACHE | P22303 | 3/20 | 0.72 |
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | MAOB | P27338 | 2/20 | 0.65 |
| ▸ | NT5E | P21589 | 1/20 | 0.65 |
| ▸ | TERT | O14746 | 2/20 | 0.64 |
| ▸ | MAOA | P21397 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL3613412 | 0.87 | KIF11 (0.79) | KIF11ACHEMAOBMAOA | |
| SCHEMBL1658926 | 0.87 | NT5E (0.82) | KIF11ACHEMAOBNT5ENPC1 | |
| SCHEMBL3622144 | 0.83 | KIF11 (0.58) | KIF11ACHECA12CA1CA2 | |
| SCHEMBL3620255 | 0.81 | KIF11 (1.00) | KIF11ACHECA12CA1CA2 | |
| SCHEMBL14136260 | 0.80 | ACHE (0.53) | KIF11ACHECA12CA1CA2 | |
| SCHEMBL28473652 | 0.80 | MAOB (0.79) | KIF11ACHEMAOBNT5EMAOA | |
| SCHEMBL27790760 | 0.80 | MAOB (0.79) | KIF11ACHEMAOBNT5EMAOA | |
| SCHEMBL1659394 | 0.77 | MAPT (0.81) | KIF11ACHECA1CA2CA9 | |
| SCHEMBL14133505 | 0.77 | ACHE (0.62) | KIF11ACHECA12CA1CA2 | |
| SCHEMBL27936470 | 0.75 | MAOB (0.67) | KIF11ACHECA12CA1CA2 |
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-104693120-A | Environment-friendly method for catalytic synthesis of 1,3,5-triple substituent-2-pyrazoline derivative through ionic liquid | UNIV SHANDONG NORMAL | 2015-06-10 | — | — | CN | disclosed |