Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 7/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 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 | |
|---|---|---|---|---|
| SCHEMBL4657944 | 0.89 | KDM4E (0.40) | KDM4EALDH1A1HSD17B10RAB9A | |
| SCHEMBL4658311 | 0.88 | KDM4E (0.52) | KDM4EALDH1A1HSD17B10MAPTTP53 | |
| SCHEMBL4657991 | 0.88 | KDM4E (0.40) | KDM4EALDH1A1HSD17B10MAPTTP53 | |
| SCHEMBL4658948 | 0.88 | PDE4D (0.43) | KDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL4657891 | 0.87 | KDM4E (0.39) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL4659010 | 0.85 | KDM4E (0.53) | KDM4EALDH1A1HSD17B10MAPTTP53 | |
| SCHEMBL3635260 | 0.85 | PTGS2 (0.39) | — | |
| SCHEMBL4659286 | 0.82 | KDM4E (0.51) | KDM4EALDH1A1HSD17B10MAPTTP53 | |
| SCHEMBL4659144 | 0.81 | SDHB (0.36) | KDM4EALDH1A1HSD17B10TDP1HPGD | |
| SCHEMBL4659091 | 0.81 | IDO1 (0.46) | KDM4EALDH1A1HSD17B10LMNAMEN1 |
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 |