Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 4/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | MPL | P40238 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL16544866 | 0.83 | GABRA1 (0.42) | CYP2A6CYP1A2ELANEALDH1A1GAA | |
| SCHEMBL13202603 | 0.78 | ALDH1A1 (0.37) | CYP2A6CYP1A2ARPARP1ALDH1A1 | |
| SCHEMBL8404365 | 0.76 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1GAAMAPT | |
| SCHEMBL10690295 | 0.75 | CYP1A2 (0.42) | CYP2A6CYP1A2ALDH1A1GAAMAPT | |
| SCHEMBL16273159 | 0.74 | CYP2A6 (0.38) | CYP2A6CYP1A2ARPARP1ELANE | |
| SCHEMBL10692400 | 0.72 | CYP1A2 (0.44) | CYP2A6CYP1A2ALDH1A1GAAMAPT | |
| SCHEMBL19099777 | 0.71 | CYP1A2 (0.42) | CYP2A6CYP1A2ALDH1A1GAAMAPT | |
| SCHEMBL10691719 | 0.71 | CYP2A6 (0.42) | CYP2A6CYP1A2ALDH1A1GAAMAPT | |
| SCHEMBL7835259 | 0.70 | CYP1A2 (0.59) | CYP2A6CYP1A2ARPARP1ELANE | |
| SCHEMBL16273162 | 0.69 | PARP1 (0.43) | CYP2A6CYP1A2ARPARP1ELANE |
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-4737516-A | FUNGICIDES | SANDOZ LTD. (CH) | 1988-04-12 | — | — | US | disclosed |