Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.37 |
| ▸ | RAF1 | P04049 | 2/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6212053 | 0.79 | GRIN1 (0.48) | GRIN1GRIN2BMAPTKDM4EALDH1A1 | |
| SCHEMBL27828715 | 0.76 | MAPT (0.56) | GRIN1GRIN2BMAPTKDM4EALDH1A1 | |
| SCHEMBL6238458 | 0.76 | MAPK14 (0.37) | KDM4EALDH1A1HPGDMAPK14 | |
| SCHEMBL6256080 | 0.75 | KDM4E (0.53) | KDM4EALDH1A1HPGDMAPK14MAPK13 | |
| SCHEMBL6213850 | 0.74 | PTGS2 (0.42) | MAPTKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL6212371 | 0.74 | MAPK14 (0.44) | KDM4EALDH1A1HPGDMAPK14 | |
| SCHEMBL6211198 | 0.74 | MAPK14 (0.47) | KDM4EALDH1A1KMT2AHPGDGLA | |
| SCHEMBL6210984 | 0.73 | MAPK14 (0.60) | MAPK14 | |
| SCHEMBL6213811 | 0.73 | IDO1 (0.48) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL6211780 | 0.72 | BRD4 (0.39) | KMT2AMAPK14MAPK1NPSR1 |
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-1554272-A1 | BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE | ELI LILLY AND COMPANY (US) | 2005-07-20 | — | — | EP | disclosed |
| WO-2004014900-A1 | BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE | ELI LILLY AND COMPANY (US) | 2004-02-19 | — | — | WO | disclosed |