Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.42 |
| ▸ | PDE6D | O43924 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2909757 | 0.93 | KCNN4 (0.47) | TP53MAPTALDH1A1NPSR1GAA | |
| SCHEMBL2906933 | 0.90 | NPSR1 (0.53) | TP53MAPTALDH1A1NPSR1GAA | |
| SCHEMBL638894 | 0.87 | NPSR1 (0.48) | TP53MAPTALDH1A1NPSR1GAA | |
| SCHEMBL639847 | 0.84 | KDM4E (0.50) | MAPTALDH1A1NPSR1GAARECQL | |
| SCHEMBL638902 | 0.84 | NPSR1 (0.48) | TP53MAPTALDH1A1NPSR1GAA | |
| SCHEMBL639087 | 0.83 | NPSR1 (0.47) | TP53MAPTALDH1A1NPSR1GAA | |
| SCHEMBL641038 | 0.83 | KDM4E (0.56) | TP53MAPTALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL2907639 | 0.79 | PLA2G2A (0.44) | TP53MAPTALDH1A1NPSR1GAA | |
| SCHEMBL2907759 | 0.79 | PLA2G2A (0.43) | TP53MAPTALDH1A1GAASMN1; SMN2 | |
| SCHEMBL2903474 | 0.79 | KMT2A (0.42) | TP53MAPTALDH1A1NPSR1GAA |
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-2121627-B1 | BENZIMIDAZOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2010-08-18 | — | — | EP | claimed |