Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 8/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SDHB | P21912 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4659140 | 0.91 | PTGS2 (0.37) | KDM4EALDH1A1HSD17B10PTGS2PTGS1 | |
| SCHEMBL4659004 | 0.91 | KDM4E (0.43) | KDM4EALDH1A1HSD17B10PTGS2PTGS1 | |
| SCHEMBL4657757 | 0.91 | PTGS2 (0.41) | KDM4EALDH1A1PTGS2PTGS1MAPT | |
| SCHEMBL4657815 | 0.91 | PTGS2 (0.39) | PTGS2PTGS1 | |
| SCHEMBL4657837 | 0.87 | PTGS2 (0.37) | ALDH1A1PTGS2PTGS1MAPTSDHB | |
| SCHEMBL4658975 | 0.85 | CTRC (0.38) | MEN1KMT2APOLBRAB9ACTRC | |
| SCHEMBL4660466 | 0.80 | CTSS (0.37) | KDM4EALDH1A1PTGS2PTGS1MAPT | |
| SCHEMBL4658988 | 0.77 | CTSS (0.39) | KDM4EALDH1A1PTGS2PTGS1ADORA2A | |
| SCHEMBL4659355 | 0.76 | TLR8 (0.34) | KDM4EALDH1A1PTGS2PTGS1MAPT | |
| SCHEMBL4659002 | 0.76 | KMO (0.34) | MAPT |
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 |