Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 4/20 | 0.45 |
| ▸ | CDK2 | P24941 | 4/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.45 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12046651 | 0.92 | CCNA2 (0.44) | CCNA2CDK2CCNA1KCNK3ALDH1A1 | |
| SCHEMBL15850622 | 0.91 | CCNA2 (0.55) | CCNA2CDK2CCNA1KCNK3ALDH1A1 | |
| SCHEMBL15850652 | 0.90 | CCNA2 (0.45) | CCNA2CDK2CCNA1ALDH1A1MAPT | |
| SCHEMBL12046650 | 0.88 | CCNA2 (0.46) | CCNA2CDK2CCNA1KCNK3ALDH1A1 | |
| SCHEMBL12046673 | 0.88 | CCNA2 (0.47) | CCNA2CDK2CCNA1KCNK3ALDH1A1 | |
| SCHEMBL12046640 | 0.87 | ALDH1A1 (0.52) | CCNA2CDK2CCNA1KCNK3ALDH1A1 | |
| SCHEMBL12046634 | 0.86 | CCNA2 (0.44) | CCNA2CDK2CCNA1KCNK3ALDH1A1 | |
| SCHEMBL12060227 | 0.85 | MAPT (0.44) | CCNA2CDK2CCNA1KCNK3ALDH1A1 | |
| SCHEMBL12874898 | 0.84 | CCNA2 (0.41) | CCNA2CDK2CCNA1ALDH1A1MAPT | |
| SCHEMBL12046648 | 0.84 | KCNK3 (0.48) | CCNA2CDK2CCNA1KCNK3ALDH1A1 |
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-2459551-B1 | DIHYDROBENZOINDAZOLES | MERCK SHARP & DOHME (NL) | 2014-07-02 | — | — | EP | disclosed |