Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 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 | |
|---|---|---|---|---|
| SCHEMBL9303256 | 0.80 | GAA (0.45) | GAARAD52DRD3KDM4EALDH1A1 | |
| SCHEMBL9847719 | 0.76 | DRD3 (0.47) | GAARAD52DRD3KDM4EALDH1A1 | |
| SCHEMBL9301127 | 0.75 | DRD3 (0.39) | GAARAD52DRD3KDM4EALDH1A1 | |
| SCHEMBL9302130 | 0.73 | HTT (0.47) | GAARAD52DRD3KDM4EALDH1A1 | |
| SCHEMBL9847735 | 0.70 | HTT (0.43) | GAARAD52DRD3KDM4EALDH1A1 | |
| SCHEMBL9303370 | 0.69 | ALDH1A1 (0.43) | GAARAD52DRD3KDM4EALDH1A1 | |
| SCHEMBL6803657 | 0.68 | DRD3 (0.53) | GAARAD52DRD3KDM4EALDH1A1 | |
| SCHEMBL9302311 | 0.68 | CYP11B2 (0.44) | GAARAD52DRD3KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9302957 | 0.67 | CYP11B1 (0.43) | GAARAD52DRD3KDM4EALDH1A1 | |
| SCHEMBL9302880 | 0.66 | HTT (0.46) | GAAKDM4EALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |
| EP-0433648-A1 | Substituted pyrimidobenzimidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |