Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | FUBP1 | Q96AE4 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL31560190 | 0.83 | PTGS2 (0.51) | TP53HPGDCYP2C9CYP2C19KDM4E | |
| SCHEMBL1348282 | 0.82 | TP53 (0.46) | TP53HPGDKDM4EALDH1A1MAPT | |
| SCHEMBL14827419 | 0.76 | FUBP1 (0.56) | TP53HPGDKDM4EALDH1A1MAPT | |
| SCHEMBL6030715 | 0.75 | KDM4E (0.60) | TP53HPGDKDM4EALDH1A1CYP3A4 | |
| SCHEMBL1348342 | 0.75 | TP53 (0.51) | TP53HPGDKDM4EALDH1A1GAA | |
| SCHEMBL1349337 | 0.74 | TTR (0.60) | TP53HPGDKDM4EALDH1A1GAA | |
| SCHEMBL6031252 | 0.74 | TP53 (0.45) | TP53HPGDKDM4EALDH1A1GAA | |
| SCHEMBL1348580 | 0.74 | TP53 (0.64) | TP53HPGDKDM4EALDH1A1GAA | |
| SCHEMBL6031310 | 0.74 | MAPT (0.64) | TP53HPGDKDM4EALDH1A1MAPT | |
| SCHEMBL1346758 | 0.74 | TP53 (0.51) | TP53HPGDKDM4EALDH1A1MAPT |
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-1863818-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006099972-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-28 | — | — | WO | disclosed |