Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDAH1 | O94760 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL28076701 | 1.00 | DDAH1 (0.34) | DDAH1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3396230 | 0.81 | — | — | |
| SCHEMBL6874017 | 0.79 | ALDH1A1 (0.37) | DDAH1ALDH1A1 | |
| SCHEMBL10304921 | 0.79 | — | — | |
| SCHEMBL31736938 | 0.79 | — | — | |
| SCHEMBL9540998 | 0.79 | — | — | |
| SCHEMBL7463113 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL4900678 | 0.77 | DDAH1 (0.41) | DDAH1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL27849100 | 0.77 | — | — | |
| SCHEMBL5679725 | 0.76 | CA1 (0.41) | DDAH1CHRNB2CHRNB4CHRNA3CHRNA4 |
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 |