Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 5/20 | 0.36 |
| ▸ | SRC | P12931 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.36 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.36 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.36 |
| ▸ | WEE1 | P30291 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CTRC | Q99895 | 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 | |
|---|---|---|---|---|
| SCHEMBL11551693 | 0.85 | CYP2A6 (0.52) | CYP2A6BRD4MAPK14P2RX7HSD11B1 | |
| SCHEMBL11441314 | 0.84 | BRD4 (0.52) | BRD4CREBBPLMNAMAPTHTT | |
| SCHEMBL11428389 | 0.82 | PTPRC (0.41) | BRD4NR1H2CREBBPLMNAEGFR | |
| SCHEMBL11551182 | 0.81 | CYP1A2 (0.48) | BRD4NR1H2LMNAMAPTHTT | |
| SCHEMBL11547644 | 0.81 | BRD4 (0.48) | BRD4CREBBPLMNAMAPTHTT | |
| SCHEMBL11429420 | 0.81 | GAA (0.49) | BRD4LMNAEGFRMAPTHTT | |
| SCHEMBL11435056 | 0.79 | HSD11B1 (0.42) | BRD4HSD11B1HTT | |
| SCHEMBL11441378 | 0.78 | BRD4 (0.43) | BRD4CREBBPLMNAMAPTHTT | |
| SCHEMBL11550186 | 0.77 | HSD11B1 (0.50) | HSD11B1LMNAMAPTHTT | |
| SCHEMBL11429053 | 0.77 | GSK3B (0.42) | CYP2A6BRD4HSD11B1LMNA |
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-4152136-A | HERBICIDES | ELI LILLY AND COMPANY (US) | 1979-05-01 | — | — | US | disclosed |