Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.35 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 5/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4781863 | 0.78 | FEN1 (0.42) | TSHRLRRK2GRM4HSD17B10ALDH1A1 | |
| SCHEMBL14976832 | 0.77 | TLR7 (0.41) | CYP1A2CYP3A4TSHRCLK4LRRK2 | |
| SCHEMBL13172843 | 0.70 | PI4KA (0.41) | CYP1A2CYP3A4TSHRCLK4GRM4 | |
| SCHEMBL1609982 | 0.69 | GPR3 (0.52) | CYP1A2CYP3A4TSHRCLK4LMNA | |
| SCHEMBL24828099 | 0.69 | CYP1A2 (0.50) | CYP1A2CYP3A4TSHRCLK4HSD17B10 | |
| SCHEMBL15170653 | 0.69 | CYP1A2 (0.41) | CYP1A2CYP3A4TSHRCLK4GRM4 | |
| SCHEMBL2628310 | 0.66 | FEN1 (0.45) | CYP1A2CYP3A4TSHRCLK4GRM4 | |
| SCHEMBL16771011 | 0.66 | CCNB2 (0.51) | CYP1A2CYP3A4TSHRCLK4HSD17B10 | |
| SCHEMBL9611672 | 0.66 | CYP1A2 (0.65) | CYP1A2CYP3A4TSHRCLK4HSD17B10 | |
| SCHEMBL2628313 | 0.65 | CYP1A2 (0.34) | CYP1A2CYP3A4TSHRCLK4GRM4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015078417-A1 | PYRROLOPYRIMIDINE COMPOUND AND USE THEREOF IN PREPARATION OF HYPOGLAECEMIC DRUG | 四川好医生药业集团有限公司 | 2015-06-04 | — | — | WO | disclosed |