Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.78 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1330919 | 0.89 | — | — | |
| SCHEMBL23785 | 0.89 | — | — | |
| Dibromomethane SCHEMBL27918005 | 0.86 | ALDH1A1 (0.86) | ALDH1A1ESR1CDK1CCNB1CCNA2 | |
| SCHEMBL6368222 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8669936 | 0.86 | — | — | |
| Methyl Alcohol SCHEMBL28312507 | 0.84 | ALDH1A1 (0.90) | ALDH1A1ESR1CDK1CCNB1CCNA2 | |
| Nitrogen SCHEMBL15994321 | 0.84 | ALDH1A1 (0.90) | ALDH1A1ESR1CDK1CCNB1CCNA2 | |
| Nitrous Acid SCHEMBL14660251 | 0.82 | ALDH1A1 (0.86) | ALDH1A1ESR1CDK1CCNB1CCNA2 | |
| Dioxane SCHEMBL6650816 | 0.81 | ALDH1A1 (0.75) | ALDH1A1ESR1KMT2A | |
| SCHEMBL4778646 | 0.80 | ALDH1A1 (0.82) | ALDH1A1ESR1CDK1CCNB1CCNA2 |
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-2035394-A1 | 2-PYRAZINECARBOXAMIDE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007147746-A1 | 2-PYRAZINECARBOXAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-12-27 | — | — | WO | disclosed |