Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4657826 | 0.92 | CTSS (0.41) | KDM4EHPGDHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL4657825 | 0.83 | CYP11B2 (0.43) | KDM4E | |
| SCHEMBL4658115 | 0.82 | KDM4E (0.39) | KDM4EHPGDHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL3560806 | 0.80 | TP53 (0.41) | KDM4EHPGDHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL4658083 | 0.79 | KDM4E (0.45) | KDM4EHSD17B10ALDH1A1ATMTP53 | |
| SCHEMBL4659010 | 0.78 | KDM4E (0.53) | KDM4EHPGDHSD17B10ALDH1A1ATM | |
| SCHEMBL4657960 | 0.77 | KDM4E (0.40) | KDM4EHSD17B10ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL3561784 | 0.77 | MAPT (0.42) | KDM4EHPGDHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL3565381 | 0.76 | S1PR1 (0.40) | KDM4EHPGDHSD17B10CYP1A2CYP3A4 | |
| SCHEMBL4657839 | 0.75 | IDO1 (0.46) | KDM4EHPGDHSD17B10CYP1A2CYP3A4 |
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 |