Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 12/20 | 0.53 |
| ▸ | AXL | P30530 | 1/20 | 0.52 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.52 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.52 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | KIT | P10721 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3572001 | 0.83 | KDM4E (0.42) | CYP19A1RAB9ANPC1KDM4EMAPT | |
| SCHEMBL3564307 | 0.81 | CDC25A (0.48) | CYP19A1RAB9ANPC1KDM4EMAPT | |
| SCHEMBL3561762 | 0.81 | DGAT1 (0.48) | CYP19A1NPC1KIT | |
| SCHEMBL3570336 | 0.81 | LRRK2 (0.45) | KDM4ENPSR1L3MBTL1ALDH1A1 | |
| SCHEMBL3566068 | 0.78 | KDM4E (0.40) | RAB9ANPC1KDM4ELMNAMAPT | |
| SCHEMBL3562629 | 0.78 | MEN1 (0.44) | RAB9ANPC1KDM4ELMNAMAPT | |
| SCHEMBL16242361 | 0.77 | KDM4E (0.39) | RAB9ANPC1KDM4EMAPTNPSR1 | |
| SCHEMBL3570446 | 0.75 | KIF11 (0.51) | RAB9ANPC1 | |
| SCHEMBL3558408 | 0.75 | LTA4H (0.53) | RAB9ANPC1KDM4ELMNAMAPT | |
| SCHEMBL3561567 | 0.75 | CA12 (0.44) | RAB9ANPC1KDM4EMAPTNPSR1 |
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 | claimed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | claimed |