Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | BHMT | Q93088 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ECE1 | P42892 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2067193 | 1.00 | CHRNB2 (0.34) | CHRNB2CHRNB4CHRNA3CHRNA4GAA | |
| SCHEMBL1829178 | 0.82 | — | — | |
| SCHEMBL25660448 | 0.80 | BHMT (0.43) | BHMTALDH1A1 | |
| SCHEMBL18127504 | 0.78 | GAA (0.32) | CHRNB2CHRNB4CHRNA3CHRNA4GAA | |
| SCHEMBL18512942 | 0.77 | TDP1 (0.36) | ALOX15 | |
| SCHEMBL3392036 | 0.75 | ALDH1A1 (0.38) | ALOX15ALDH1A1ECE1 | |
| SCHEMBL25078569 | 0.75 | — | — | |
| SCHEMBL6206024 | 0.75 | — | — | |
| SCHEMBL21963099 | 0.75 | ALOX15 (0.44) | ALOX15BHMTALDH1A1ECE1 | |
| SCHEMBL17664580 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |