Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 15/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL21350744 | 0.87 | SLC22A12 (0.51) | SLC22A12KDM4ECYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL21331815 | 0.86 | SLC22A12 (0.53) | SLC22A12KDM4EMAPTSMN1; SMN2CYP2C9 | |
| SCHEMBL21350742 | 0.86 | SLC22A12 (0.50) | SLC22A12KDM4ECYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL28411824 | 0.85 | SLC22A12 (0.45) | SLC22A12KDM4EMAPTHTTSMN1; SMN2 | |
| SCHEMBL21350889 | 0.84 | SLC22A12 (0.70) | SLC22A12 | |
| SCHEMBL21331861 | 0.83 | SLC22A12 (0.60) | SLC22A12HTTCYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL28413899 | 0.81 | SLC22A12 (0.72) | SLC22A12CYP2C9CYP1A2 | |
| SCHEMBL28417529 | 0.79 | SLC22A12 (0.48) | SLC22A12KDM4ECYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL21331873 | 0.78 | SLC22A12 (0.50) | SLC22A12KDM4EMAPTHTTSMN1; SMN2 | |
| SCHEMBL28411844 | 0.76 | PTGDR2 (0.41) | SLC22A12KDM4EALDH1A1 |
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-108440397-B | 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof | 南方医科大学 | 2020-06-05 | — | — | CN | disclosed |