Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL10539487 | 0.81 | CYP2A6 (0.38) | CYP2A6ALDH1A1IDO1ALOX15MAPK1 | |
| SCHEMBL952880 | 0.76 | MAPT (0.38) | ALDH1A1ALOX15MAPK1 | |
| SCHEMBL810787 | 0.75 | ESR1 (0.39) | — | |
| SCHEMBL9577405 | 0.73 | ESR1 (0.38) | — | |
| SCHEMBL570229 | 0.71 | CYP2A6 (0.50) | CYP2A6ALDH1A1IDO1ALOX15MAPK1 | |
| SCHEMBL8915096 | 0.71 | CYP2A6 (0.50) | CYP2A6ALDH1A1IDO1ALOX15MAPK1 | |
| SCHEMBL765990 | 0.70 | HPGD (0.61) | ALDH1A1ALOX15 | |
| SCHEMBL8349228 | 0.69 | CYP2A6 (0.47) | CYP2A6ALDH1A1IDO1ALOX15MAPK1 | |
| SCHEMBL27731287 | 0.69 | CYP2A6 (0.47) | CYP2A6ALDH1A1IDO1ALOX15MAPK1 | |
| SCHEMBL22151187 | 0.69 | CYP3A4 (0.43) | ALDH1A1ALOX15MAPK1 |
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-5679818-A | Inorganic arylacetylenic monomers | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1997-10-21 | — | — | US | disclosed |