Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ATR | Q13535 | 4/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.43 |
| ▸ | CISD2 | Q8N5K1 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1761088 | 0.92 | ALDH1A1 (0.50) | PRKCIALDH1A1KDM4EHSD17B10L3MBTL1 | |
| SCHEMBL1761140 | 0.79 | DHODH (0.51) | ALDH1A1ATRKDM4EL3MBTL1HTT | |
| SCHEMBL4134330 | 0.79 | PRKCI (0.52) | PRKCIALDH1A1KDM4EL3MBTL1CYP3A4 | |
| SCHEMBL1761100 | 0.77 | PDE10A (0.40) | KDM4EL3MBTL1 | |
| SCHEMBL10642215 | 0.77 | KDM4E (0.56) | ALDH1A1KDM4EHSD17B10HTTABL1 | |
| SCHEMBL261104 | 0.77 | NPSR1 (0.48) | PRKCIALDH1A1ATRKDM4EL3MBTL1 | |
| SCHEMBL32682741 | 0.77 | NPSR1 (0.48) | PRKCIALDH1A1ATRKDM4EL3MBTL1 | |
| Hydrochloric Acid SCHEMBL5773639 | 0.75 | NPSR1 (0.46) | PRKCIALDH1A1ATRKDM4EL3MBTL1 | |
| SCHEMBL7449162 | 0.73 | PDE10A (0.59) | — | |
| SCHEMBL5185053 | 0.72 | NAMPT (0.55) | ALDH1A1CISD2KDM4EHSD17B10CYP3A4 |
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-1858862-A1 | PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006094691-A1 | PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-09-14 | — | — | WO | disclosed |