Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 4/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.34 |
| ▸ | CBFB | Q13951 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14927613 | 0.87 | KHK (0.50) | KHKACHEBCHEALDH1A1KDM4E | |
| SCHEMBL14909350 | 0.84 | KHK (0.54) | KHKALDH1A1PGK1POLBSMN1; SMN2 | |
| SCHEMBL1400633 | 0.84 | KHK (0.48) | KHKACHEBCHEALDH1A1KDM4E | |
| SCHEMBL14911567 | 0.81 | KHK (0.44) | KHKACHEBCHEALDH1A1KDM4E | |
| SCHEMBL18926214 | 0.80 | KHK (0.61) | KHKACHEBCHEALDH1A1KDM4E | |
| SCHEMBL2539243 | 0.79 | KHK (0.49) | KHKACHEBCHEALDH1A1PGK1 | |
| SCHEMBL14909860 | 0.77 | KHK (0.50) | KHKACHEALDH1A1KDM4EPGK1 | |
| SCHEMBL14909858 | 0.77 | KHK (0.50) | KHKACHEALDH1A1KDM4EPGK1 | |
| SCHEMBL19901813 | 0.77 | KHK (0.47) | KHKACHEBCHEALDH1A1PGK1 | |
| SCHEMBL14923584 | 0.76 | KHK (0.49) | KHKACHEBCHEALDH1A1PGK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2589592-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM Corporation (JP) | 2013-05-08 | — | — | EP | disclosed |