Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9301938 | 0.89 | DRD3 (0.43) | ALDH1A1LMNAKDM4EHPGDGAA | |
| SCHEMBL9302640 | 0.81 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL9301445 | 0.80 | ALDH1A1 (0.44) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL9302455 | 0.80 | ALDH1A1 (0.45) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| Trifluoroacetic Acid SCHEMBL9301612 | 0.74 | KDM4E (0.46) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL30539983 | 0.69 | ALDH1A1 (0.52) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL6806695 | 0.68 | LMNA (0.53) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL9302026 | 0.68 | DRD3 (0.44) | ALDH1A1LMNAKDM4EHPGDGAA | |
| SCHEMBL609448 | 0.67 | ALDH1A1 (0.52) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL4766471 | 0.67 | ALDH1A1 (0.60) | ALDH1A1LMNAHSD17B10KDM4EHPGD |
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 |