Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 2/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | KIT | P10721 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TOP1 | P11387 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4657939 | 0.88 | S1PR1 (0.46) | NPY5RS1PR1DGAT1KCNH2KIT | |
| SCHEMBL4659093 | 0.85 | NPY5R (0.47) | NPY5RKITKMT2AALKMEN1 | |
| SCHEMBL4659264 | 0.78 | KDM4E (0.53) | NPY5RMAPTSMN1; SMN2LMNANPSR1 | |
| SCHEMBL4659069 | 0.78 | RAD51 (0.43) | NPC1MAPTTOP1SMN1; SMN2LMNA | |
| SCHEMBL4659163 | 0.78 | RAD51 (0.40) | NPC1MAPTTOP1SMN1; SMN2LMNA | |
| SCHEMBL4659001 | 0.77 | PSD (0.48) | NPY5RDGAT1KCNH2NPC1SMN1; SMN2 | |
| SCHEMBL3561762 | 0.74 | DGAT1 (0.48) | NPY5RS1PR1DGAT1KCNH2KIT | |
| SCHEMBL3559037 | 0.73 | CYP2A6 (0.44) | NPY5RS1PR1DGAT1KCNH2KIT | |
| SCHEMBL15046260 | 0.72 | CYP2A6 (0.59) | KMT2AALKMAPTCYP2A6SMN1; SMN2 | |
| SCHEMBL4659067 | 0.72 | SDHB (0.47) | S1PR1KMT2AMEN1SMN1; SMN2LMNA |
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 4 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 | claimed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | claimed |
| 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 |