Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | KIF11 | P52732 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11234202 | 0.85 | PGK1 (0.44) | ALDH1A1CYP1A2KIF11TSHRMAPK1 | |
| SCHEMBL592796 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL29635769 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL1504946 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL28270887 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL12811806 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| Hydrogen Sulfide SCHEMBL28290770 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL1504949 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL10607069 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| Water SCHEMBL28200366 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 |
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-114105772-A | Synthetic method of 2-chloro-4-fluoro-5-nitrobenzoic acid | 阜新睿光氟化学有限公司 | 2022-03-01 | — | — | CN | disclosed |