Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.37 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| Cyclooctanamine SCHEMBL7481924 | 0.92 | KEAP1 (0.52) | KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1 | |
| SCHEMBL9444 | 0.89 | — | — | |
| SCHEMBL6942281 | 0.86 | KEAP1 (0.52) | KEAP1SMN1; SMN2KDM4EALDH1A1GLA | |
| SCHEMBL8099591 | 0.86 | KEAP1 (0.52) | KEAP1SMN1; SMN2KDM4EALDH1A1GLA | |
| SCHEMBL1307205 | 0.86 | KEAP1 (0.70) | KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8859956 | 0.86 | KEAP1 (0.70) | KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL1168021 | 0.86 | KEAP1 (0.70) | KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1 | |
| SCHEMBL27350451 | 0.86 | KEAP1 (0.70) | KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1 | |
| SCHEMBL10917755 | 0.86 | KEAP1 (0.70) | KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL726007 | 0.86 | KEAP1 (0.70) | KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218384-A4 | TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2002-11-20 | — | — | EP | disclosed |
| EP-1218384-A1 | TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001023392-A1 | TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-04-05 | — | — | WO | disclosed |