Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 5/20 | 0.48 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.48 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD5 | P21918 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28288569 | 1.00 | ALDH1A1 (0.68) | ALDH1A1CYP2A6TP53IP6K1DRD1 | |
| SCHEMBL10969109 | 1.00 | ALDH1A1 (0.68) | ALDH1A1CYP2A6TP53IP6K1DRD1 | |
| SCHEMBL6032 | 1.00 | ALDH1A1 (0.68) | ALDH1A1CYP2A6TP53IP6K1DRD1 | |
| Fluoride SCHEMBL28127101 | 0.97 | ALDH1A1 (0.65) | ALDH1A1CYP2A6TP53IP6K1DRD1 | |
| Methane SCHEMBL28723228 | 0.97 | ALDH1A1 (0.65) | ALDH1A1CYP2A6TP53IP6K1DRD1 | |
| Tannin Pyrogallol SCHEMBL28663913 | 0.94 | ALDH1A1 (0.78) | ALDH1A1CYP2A6TP53IP6K1DRD1 | |
| SCHEMBL16381738 | 0.93 | ALDH1A1 (0.59) | ALDH1A1CYP2A6TP53IP6K1DRD1 | |
| Biphenyl SCHEMBL2390667 | 0.92 | ALDH1A1 (0.82) | ALDH1A1CYP2A6TP53IP6K1DRD1 | |
| SCHEMBL5711166 | 0.92 | CYP2A6 (0.55) | ALDH1A1CYP2A6TP53DRD1TRIM24 | |
| SCHEMBL29936157 | 0.91 | ALDH1A1 (0.56) | ALDH1A1CYP2A6TP53IP6K1DRD1 |
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-1080078-B1 | HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS | SCIOS INC (US) | 2006-02-01 | — | — | EP | disclosed |