Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL5039193 | 0.92 | MAPK1 (0.49) | KDM4EKMT2AHTTMAPK1TP53 | |
| SCHEMBL5036053 | 0.91 | RXFP1 (0.42) | KDM4EKMT2AHTTPOLBALDH1A1 | |
| SCHEMBL5035052 | 0.91 | KDM4E (0.51) | KDM4EKMT2AHTTMAPK1TP53 | |
| SCHEMBL5035307 | 0.90 | KDM4E (0.50) | KDM4EKMT2AHTTMAPK1TP53 | |
| SCHEMBL5035000 | 0.90 | KDM4E (0.49) | KDM4EKMT2AHTTMAPK1TP53 | |
| SCHEMBL5041326 | 0.90 | MAPK1 (0.49) | KDM4EKMT2AHTTMAPK1TP53 | |
| SCHEMBL5050012 | 0.89 | MAPK1 (0.56) | KDM4EKMT2AHTTMAPK1TP53 | |
| SCHEMBL5035072 | 0.89 | KDM4E (0.54) | KDM4EKMT2AHTTMAPK1TP53 | |
| SCHEMBL5039123 | 0.89 | MAPK1 (0.46) | KDM4EKMT2AHTTMAPK1TP53 | |
| SCHEMBL5032629 | 0.88 | MAPK1 (0.50) | KDM4EKMT2AHTTMAPK1TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761541-B1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | claimed |