Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1381294 | 0.91 | ALDH1A1 (0.51) | TP53POLBLMNAMAPK1ALDH1A1 | |
| SCHEMBL1939819 | 0.89 | KDM4E (0.43) | TP53POLBLMNAMAPK1ALDH1A1 | |
| SCHEMBL1381438 | 0.88 | TP53 (0.46) | TP53POLBLMNAMAPK1ALDH1A1 | |
| SCHEMBL1384178 | 0.87 | TP53 (0.53) | TP53POLBLMNAMAPK1ALDH1A1 | |
| SCHEMBL1939518 | 0.84 | KMT2A (0.51) | TP53POLBLMNAMAPK1ALDH1A1 | |
| SCHEMBL1939239 | 0.83 | TP53 (0.49) | TP53POLBLMNAMAPK1ALDH1A1 | |
| SCHEMBL1938940 | 0.83 | TP53 (0.49) | TP53POLBLMNAALDH1A1KDM4E | |
| SCHEMBL1939329 | 0.83 | TP53 (0.49) | TP53POLBLMNAMAPK1ALDH1A1 | |
| SCHEMBL1380793 | 0.83 | TP53 (0.49) | TP53POLBLMNAMAPK1ALDH1A1 | |
| SCHEMBL1939720 | 0.82 | POLB (0.49) | TP53POLBLMNAALDH1A1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4708438-B2 | — | — | 2011-06-22 | — | — | JP | claimed |
| EP-1851225-B1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-06-15 | — | — | EP | claimed |
| EP-1851225-B1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-06-15 | — | — | EP | disclosed |