Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | LMNA | P02545 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | TOP2A | P11388 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9301445 | 0.77 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL9301612 | 0.77 | KDM4E (0.46) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL30448428 | 0.73 | ALDH1A1 (0.58) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL30866391 | 0.73 | KDM4E (0.63) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL6703755 | 0.73 | KDM4E (0.62) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL6790985 | 0.72 | ALDH1A1 (0.61) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL9301465 | 0.71 | ALDH1A1 (0.45) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| SCHEMBL3673753 | 0.71 | ALDH1A1 (0.60) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL6248075 | 0.71 | KDM4E (0.60) | ALDH1A1LMNAKDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL9304165 | 0.71 | ALDH1A1 (0.45) | ALDH1A1LMNAKDM4EHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | claimed |