Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.47 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 2/20 | 0.31 |
| ▸ | JAK3 | P52333 | 2/20 | 0.31 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.31 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3346566 | 0.92 | KHK (0.44) | KHKPGK1PKMALDH1A1POLB | |
| SCHEMBL14928541 | 0.90 | KHK (0.47) | KHKPGK1PKMALDH1A1POLB | |
| SCHEMBL14928701 | 0.87 | KHK (0.46) | KHKPGK1PKMALDH1A1POLB | |
| SCHEMBL14928731 | 0.87 | KHK (0.46) | KHKPGK1PKMALDH1A1POLB | |
| SCHEMBL14928428 | 0.86 | KHK (0.44) | KHKPGK1PKMALDH1A1POLB | |
| SCHEMBL14928408 | 0.82 | KHK (0.48) | KHKPGK1PKMALDH1A1POLB | |
| SCHEMBL16164181 | 0.81 | KHK (0.40) | KHKPGK1ALDH1A1POLBCYP1A2 | |
| SCHEMBL14911090 | 0.81 | KHK (0.48) | KHKPGK1PKMALDH1A1CYP1A2 | |
| SCHEMBL14911089 | 0.81 | KHK (0.48) | KHKPGK1PKMALDH1A1CYP1A2 | |
| SCHEMBL14928808 | 0.81 | KHK (0.42) | KHKPGK1PKMALDH1A1POLB |
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 |