Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28254568 | 0.76 | ALDH1A1 (0.38) | CYP2C9CYP2C19AOC3NOS3NOS2 | |
| Ethoxycarbonyl Group SCHEMBL28078703 | 0.76 | ALDH1A1 (0.39) | CYP2C9CYP2C19MEN1ALDH1A1KMT2A | |
| SCHEMBL1553320 | 0.74 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27865983 | 0.71 | LMNA (0.35) | ALDH1A1 | |
| Pyrazine SCHEMBL27608305 | 0.71 | KMT2A (0.31) | KMT2A | |
| SCHEMBL18125581 | 0.70 | NOS3 (0.45) | CYP2C19NOS3NOS1NOS2ALDH1A1 | |
| Ethoxycarbonyl Group SCHEMBL27405664 | 0.70 | — | — | |
| Ethoxycarbonyl Group SCHEMBL5306888 | 0.69 | ALDH1A1 (0.38) | ALDH1A1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL453 | 0.69 | — | — | |
| Ethoxycarbonyl Group SCHEMBL1332384 | 0.69 | — | — |
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-105793236-A | Dimethylbenzoic acid compound | 伊莱利利公司 | 2016-07-20 | — | — | CN | disclosed |