Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.33 |
| ▸ | IDH2 | P48735 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | DLK1 | P80370 | 1/20 | 0.31 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14751140 | 1.00 | ADRB2 (0.48) | ADRB2NOS3NOS2KCNN4NPSR1 | |
| SCHEMBL25368832 | 0.87 | ADRB2 (0.39) | ADRB2 | |
| SCHEMBL25368834 | 0.87 | ADRB2 (0.39) | ADRB2 | |
| SCHEMBL25368946 | 0.87 | ADRB2 (0.39) | ADRB2 | |
| SCHEMBL29598075 | 0.87 | ADRB2 (0.39) | ADRB2 | |
| SCHEMBL2714728 | 0.82 | CYP2C9 (0.38) | ADRB2MAPTALDH1A1 | |
| SCHEMBL2714730 | 0.82 | CYP2C9 (0.38) | ADRB2MAPTALDH1A1 | |
| SCHEMBL2713443 | 0.82 | CYP2C9 (0.38) | ADRB2MAPTALDH1A1 | |
| SCHEMBL28392932 | 0.82 | CYP2C9 (0.38) | ADRB2MAPTALDH1A1 | |
| SCHEMBL24529689 | 0.80 | KDM4C (0.34) | MAPK1 |
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-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |