Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17277370 | 0.82 | KIF11 (0.64) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13610406 | 0.82 | ACHE (0.44) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22671430 | 0.82 | ACHE (0.44) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Ethylamine SCHEMBL8079279 | 0.80 | TAAR1 (0.52) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2008713 | 0.80 | PTPN5 (0.44) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8233131 | 0.79 | TAAR1 (0.55) | KIF11TAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL25078650 | 0.78 | KIF11 (0.44) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3148159 | 0.78 | KIF11 (0.49) | KIF11TAAR1ACHEIDO1 | |
| Hydrochloric Acid SCHEMBL3917461 | 0.78 | TAAR1 (0.53) | KIF11TAAR1HTR3EHTR3BHTR3A | |
| SCHEMBL15552784 | 0.78 | KIF11 (0.50) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 |
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-116829532-A | Substituted cyclohexane carboxamides, their preparation and their therapeutic use | 赛诺菲 | 2023-09-29 | — | — | CN | disclosed |