Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | CDK4 | P11802 | 3/20 | 0.46 |
| ▸ | CCND1 | P24385 | 3/20 | 0.46 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.46 |
| ▸ | CDK9 | P50750 | 3/20 | 0.46 |
| ▸ | CDK11A | Q9UQ88 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL998661 | 0.72 | MMP1 (0.43) | POLBMAPTMEN1KMT2ACA12 | |
| SCHEMBL1939520 | 0.70 | MAPT (0.38) | ALDH1A1POLBCDK4CCND1CDK6 | |
| SCHEMBL999510 | 0.68 | PDE7A (0.40) | ALDH1A1NPC1RAB9AKMT2AHPGD | |
| SCHEMBL3936569 | 0.66 | POLB (1.00) | ALDH1A1GAAPOLBMEN1KMT2A | |
| SCHEMBL9666910 | 0.65 | MAPT (0.52) | ALDH1A1GAAPOLBADORA3ADORA2A | |
| SCHEMBL18711331 | 0.65 | LPAR2 (0.49) | ALDH1A1GAAPOLBMEN1KMT2A | |
| SCHEMBL25804386 | 0.65 | ALDH1A1 (0.69) | ALDH1A1GAAPOLBNPC1RAB9A | |
| SCHEMBL4001428 | 0.65 | POLB (0.56) | ALDH1A1POLBKMT2ALMNASMN1; SMN2 | |
| SCHEMBL4765972 | 0.65 | NPC1 (0.76) | ALDH1A1GAAPOLBNPC1RAB9A | |
| SCHEMBL4400357 | 0.65 | RAB9A (0.86) | ALDH1A1GAAPOLBADORA3ADORA2A |
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-1851225-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006084634-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | WO | disclosed |