Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TOP1 | P11387 | 4/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7501866 | 0.93 | ALDH1A1 (0.34) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL7497169 | 0.93 | ALDH1A1 (0.37) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| Hydrochloric Acid SCHEMBL7488452 | 0.91 | ALDH1A1 (0.36) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| Trifluoroacetic Acid SCHEMBL7836136 | 0.90 | ALDH1A1 (0.42) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL7836140 | 0.85 | ALDH1A1 (0.42) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL7498541 | 0.85 | ALDH1A1 (0.36) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| Hydrochloric Acid SCHEMBL9215124 | 0.83 | KDM4E (0.44) | ALDH1A1KDM4EHSD17B10HPGDLMNA | |
| Trifluoroacetic Acid SCHEMBL7847294 | 0.83 | ALDH1A1 (0.41) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL7497162 | 0.82 | ALDH1A1 (0.46) | ALDH1A1KDM4EHSD17B10HPGDMEN1 | |
| Hydrochloric Acid SCHEMBL7502263 | 0.81 | ALDH1A1 (0.36) | ALDH1A1KDM4EHSD17B10HPGDGAA |
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-0944385-B1 | USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH | BAYER AG (DE) | 2002-10-16 | — | — | EP | disclosed |