Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KHK | P50053 | 1/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23369596 | 0.86 | POLB (0.43) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL6955377 | 0.86 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL9846336 | 0.78 | GAA (0.51) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL33526375 | 0.76 | NPSR1 (0.59) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL20303775 | 0.74 | NPSR1 (0.57) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL2394013 | 0.74 | NPSR1 (0.57) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL30442040 | 0.74 | NPSR1 (0.57) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL6050497 | 0.72 | KHK (0.62) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL16370648 | 0.72 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL16828824 | 0.72 | NPSR1 (0.54) | CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |