Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 6/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 9/20 | 0.47 |
| ▸ | MASP2 | O00187 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL5772031 | 0.90 | MAPK14 (0.59) | CYP3A4KDM4EMAPTIDO1MAPK14 | |
| SCHEMBL18041623 | 0.84 | CYP3A4 (0.54) | CYP3A4KDM4EMAPTIDO1MAPK14 | |
| SCHEMBL3827667 | 0.80 | ALDH1A1 (0.58) | KDM4EMAPTMAPK14MASP2MEN1 | |
| SCHEMBL4834115 | 0.76 | MAPT (0.44) | CYP3A4KDM4EMAPTIDO1MAPK14 | |
| SCHEMBL4839615 | 0.74 | MAPK14 (0.83) | CYP3A4MAPK14 | |
| SCHEMBL7659118 | 0.73 | ALDH1A1 (0.54) | CYP3A4KDM4EMAPTMASP2MEN1 | |
| SCHEMBL4840197 | 0.73 | MAPK14 (0.65) | CYP3A4KDM4EMAPTIDO1MAPK14 | |
| SCHEMBL224770 | 0.73 | KDM4E (1.00) | CYP3A4KDM4EMAPTIDO1MAPK14 | |
| Bromide SCHEMBL31020961 | 0.71 | KDM4E (0.96) | CYP3A4KDM4EMAPTIDO1MAPK14 | |
| SCHEMBL11275115 | 0.70 | IDO1 (0.69) | CYP3A4KDM4EMAPTIDO1MAPK14 |
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-1554272-B1 | BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE | LILLY CO ELI (US) | 2006-10-25 | — | — | EP | disclosed |