Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | OXTR | P30559 | 1/20 | 0.43 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | USP7 | Q93009 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13017168 | 0.82 | CYP1A2 (0.42) | CYP1A2CYP3A4ALDH1A1TSHRCLK4 | |
| SCHEMBL14200502 | 0.76 | GAA (0.43) | CYP1A2CYP3A4TSHRCLK4IDO1 | |
| SCHEMBL11679050 | 0.76 | IDO1 (0.50) | ALDH1A1IDO1OXTRAVPR1AALOX5AP | |
| SCHEMBL18574185 | 0.75 | L3MBTL1 (0.43) | CYP1A2CYP3A4ALDH1A1TSHRCLK4 | |
| SCHEMBL7573851 | 0.74 | CYP11B1 (0.51) | ALDH1A1GAA | |
| SCHEMBL17034486 | 0.74 | L3MBTL1 (0.48) | ALDH1A1IDO1GAAL3MBTL1CNR2 | |
| SCHEMBL27846546 | 0.73 | IDO1 (0.47) | ALDH1A1IDO1OXTRAVPR1AALOX5AP | |
| SCHEMBL2030727 | 0.73 | FEN1 (0.66) | IDO1ALOX5APFEN1MAPK14KMT2A | |
| SCHEMBL15060594 | 0.72 | ALOX5AP (0.48) | ALDH1A1ALOX5APFEN1L3MBTL1CNR2 | |
| SCHEMBL7668578 | 0.70 | L3MBTL1 (0.36) | CYP1A2CYP3A4ALDH1A1TSHRCLK4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8471024-B2 | Tetrahydrofuropyridones | MERCK SHARP & DOHME, CORP. (US) | 2013-06-25 | — | — | US | disclosed |