Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 5/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | CPT1A | P50416 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9301575 | 0.94 | RORC (0.39) | CYP11B2CYP11B1HTTRORCLMNA | |
| SCHEMBL9301571 | 0.90 | RORC (0.30) | RORCJAK2JAK1TYK2JAK3 | |
| SCHEMBL9302442 | 0.86 | RORC (0.41) | CYP11B2CYP11B1HTTRORCLMNA | |
| SCHEMBL9301682 | 0.82 | RORC (0.42) | CYP11B2CYP11B1HTTRORCLMNA | |
| SCHEMBL9303809 | 0.81 | HTT (0.41) | CYP11B2CYP11B1HTTALDH1A1RORC | |
| SCHEMBL9847732 | 0.81 | HTT (0.43) | CYP11B2CYP11B1HTTKDM4EALDH1A1 | |
| SCHEMBL9301471 | 0.80 | RORC (0.41) | CYP11B2CYP11B1HTTRORCLMNA | |
| SCHEMBL9301733 | 0.79 | CYP11B2 (0.40) | CYP11B2CYP11B1HTTKDM4EALDH1A1 | |
| SCHEMBL9301681 | 0.78 | HTT (0.42) | CYP11B2CYP11B1HTTRORCLMNA | |
| SCHEMBL9301969 | 0.77 | GRM5 (0.42) | CYP11B2CYP11B1HTTALDH1A1RORC |
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-0433648-A1 | Substituted pyrimidobenzimidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |