Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KIF20B | Q96Q89 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4657739 | 0.89 | KDM4E (0.53) | KDM4EALDH1A1HSD17B10RAB9A | |
| SCHEMBL4657960 | 0.85 | KDM4E (0.40) | KDM4EALDH1A1HSD17B10KIF20BNPC1 | |
| SCHEMBL4658311 | 0.85 | KDM4E (0.52) | KDM4EALDH1A1HSD17B10RAB9A | |
| SCHEMBL4657991 | 0.85 | KDM4E (0.40) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL4658948 | 0.84 | PDE4D (0.43) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL4657891 | 0.84 | KDM4E (0.39) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL3635260 | 0.84 | PTGS2 (0.39) | — | |
| SCHEMBL4658269 | 0.81 | KMO (0.40) | KDM4ENPC1RAB9ANOTUMTYMP | |
| SCHEMBL4659144 | 0.81 | SDHB (0.36) | KDM4EALDH1A1HSD17B10NOTUM | |
| SCHEMBL4659091 | 0.80 | IDO1 (0.46) | KDM4EALDH1A1HSD17B10NPC1RAB9A |
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-2001849-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |