Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2403052 | 0.85 | PIK3CD (0.44) | — | |
| SCHEMBL2403557 | 0.83 | KDM4E (0.41) | KDM4EHSD17B1HSD17B2ALDH1A1 | |
| SCHEMBL3564289 | 0.82 | KDM4E (0.58) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL2405333 | 0.81 | HSD17B1 (0.42) | KDM4EHSD17B1HSD17B2LMNA | |
| SCHEMBL2405941 | 0.80 | PTGS1 (0.47) | HSD17B1HSD17B2 | |
| SCHEMBL3572426 | 0.78 | S1PR1 (0.51) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL3634607 | 0.77 | — | — | |
| SCHEMBL2401636 | 0.76 | NPC1 (0.45) | HSD17B1HSD17B2 | |
| SCHEMBL2400731 | 0.76 | JAK2 (0.41) | KDM4ELMNASMN1; SMN2 | |
| SCHEMBL13035389 | 0.73 | CYP2A6 (1.00) | CYP2A6KDM4EALDH1A1LMNAHTT |
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-2142527-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-01-13 | — | — | EP | claimed |
| WO-2008119689-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-09 | — | — | WO | claimed |