Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Furan SCHEMBL28153482 | 0.79 | HPRT1 (0.34) | HPRT1ALDH1A1CYP1A2ANPEPLCK | |
| SCHEMBL28098849 | 0.78 | HPRT1 (0.44) | HPRT1ALDH1A1CYP1A2ANPEPLCK | |
| SCHEMBL28035450 | 0.78 | HPRT1 (0.44) | HPRT1ALDH1A1CYP1A2ANPEPLCK | |
| SCHEMBL28095840 | 0.78 | PLAU (0.47) | HPRT1ANPEP | |
| SCHEMBL28765984 | 0.78 | HPRT1 (0.44) | HPRT1ALDH1A1CYP1A2ANPEPLCK | |
| SCHEMBL27289372 | 0.78 | HPRT1 (0.44) | HPRT1ALDH1A1CYP1A2ANPEPLCK | |
| SCHEMBL27474193 | 0.78 | HPRT1 (0.44) | HPRT1ALDH1A1CYP1A2ANPEPLCK | |
| SCHEMBL27764266 | 0.78 | HPRT1 (0.44) | HPRT1ALDH1A1CYP1A2ANPEPLCK | |
| SCHEMBL27297928 | 0.75 | HPRT1 (0.41) | HPRT1ALDH1A1CYP1A2ANPEPLCK | |
| SCHEMBL28841954 | 0.74 | HPRT1 (0.40) | HPRT1ALDH1A1CYP1A2ANPEPLCK |
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-101679427-B | Derivatives of 7-alkynyl-1, 8-naphthyridinones, preparation thereof and use thereof in therapeutics | SANOFI AVENTIS | 2013-02-20 | — | — | CN | disclosed |