Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | METAP2 | P50579 | 2/20 | 0.34 |
| ▸ | METAP1 | P53582 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28116044 | 0.73 | ALDH1A1 (0.39) | CYP2D6CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL6070239 | 0.70 | ALDH1A1 (0.44) | CYP2D6CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL9620431 | 0.69 | GLO1 (0.36) | CYP2D6CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL9620433 | 0.69 | GLO1 (0.36) | CYP2D6CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL15046951 | 0.69 | ALDH1A1 (0.42) | CYP2D6CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL18431955 | 0.68 | FBP1 (0.36) | CYP2C9CYP2C19ALDH1A1LMNAHSD17B10 | |
| SCHEMBL4079531 | 0.68 | ALOX15 (0.44) | CYP2D6CYP2C9CYP2C19ALDH1A1METAP2 | |
| SCHEMBL8004357 | 0.68 | ALOX15 (0.44) | CYP2D6CYP2C9CYP2C19ALDH1A1METAP2 | |
| SCHEMBL14769893 | 0.68 | ALOX15 (0.44) | CYP2D6CYP2C9CYP2C19ALDH1A1METAP2 | |
| SCHEMBL26783311 | 0.66 | ALDH1A1 (0.40) | CYP2D6CYP2C9CYP2C19ALDH1A1LMNA |
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-108473493-A | Functionalized valeric acid for influenza infection | 爱尔兰詹森科学公司 | 2018-08-31 | — | — | CN | disclosed |