Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | MAP3K8 | P41279 | 3/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | JAK2 | O60674 | 3/20 | 0.36 |
| ▸ | JAK3 | P52333 | 3/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14928770 | 0.91 | KHK (0.43) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3386362 | 0.89 | KHK (0.45) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14923560 | 0.89 | KHK (0.45) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16207730 | 0.84 | CYP1A2 (0.39) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16207729 | 0.84 | CYP1A2 (0.39) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3389612 | 0.81 | KHK (0.51) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14923561 | 0.81 | KHK (0.51) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14909031 | 0.81 | KHK (0.51) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16168998 | 0.81 | KHK (0.43) | KHKNPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14928776 | 0.81 | JAK3 (0.46) | KHKNPSR1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012002577-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | 富士フイルム株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |