Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11107197 | 0.84 | CES2 (0.52) | CES2LMNAPOLBMAPTHTT | |
| SCHEMBL27432755 | 0.82 | LMNA (0.50) | CES2LMNAPOLBMAPTHTT | |
| SCHEMBL27497022 | 0.78 | GAA (0.60) | CES2LMNAPOLBMAPTHTT | |
| SCHEMBL5313439 | 0.78 | MAPT (0.60) | CES2LMNAPOLBMAPTHTT | |
| SCHEMBL29355334 | 0.78 | CES2 (0.75) | CES2LMNAPOLBMAPTHTT | |
| SCHEMBL11230405 | 0.78 | CES2 (0.75) | CES2LMNAPOLBMAPTHTT | |
| SCHEMBL11010668 | 0.78 | LMNA (0.60) | CES2LMNAPOLBMAPTHTT | |
| SCHEMBL28290413 | 0.77 | ALDH1A1 (0.48) | CES2LMNAPOLBMAPTHTT | |
| SCHEMBL6314599 | 0.77 | MAPK1 (0.68) | CES2LMNAPOLBMAPTHTT | |
| SCHEMBL14744336 | 0.77 | CES2 (0.56) | CES2LMNAPOLBMAPTHTT |
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-109988100-B | Asymmetric diimine pyridine complex with nitro-enhanced thermal stability and catalytic activity, and preparation method and application thereof | 中国科学院化学研究所 | 2020-12-15 | — | — | CN | disclosed |