Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PPOX | P50336 | 1/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 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 | |
|---|---|---|---|---|
| SCHEMBL11363508 | 0.88 | HSD17B10 (0.47) | HSD17B10CYP1A2PPOXPTGDR2DRD4 | |
| SCHEMBL11190947 | 0.82 | HSD17B10 (0.47) | HSD17B10CYP1A2PTGDRPTGDR2 | |
| SCHEMBL11366410 | 0.81 | CYP1A2 (0.68) | HSD17B10CYP1A2 | |
| SCHEMBL14994922 | 0.80 | PPOX (0.42) | HSD17B10CYP1A2PPOXDRD4CES1 | |
| SCHEMBL14994923 | 0.80 | PPOX (0.42) | HSD17B10CYP1A2PPOXDRD4CES1 | |
| SCHEMBL14991613 | 0.80 | PPOX (0.42) | HSD17B10CYP1A2PPOXDRD4CES1 | |
| SCHEMBL11188454 | 0.79 | CYP1A2 (0.46) | HSD17B10CYP1A2 | |
| SCHEMBL14991817 | 0.78 | ROCK1 (0.45) | HSD17B10DRD4ROCK1 | |
| SCHEMBL18215418 | 0.78 | HSD17B10 (0.73) | HSD17B10CYP1A2DRD4 | |
| SCHEMBL18215470 | 0.78 | HSD17B10 (0.73) | HSD17B10CYP1A2DRD4 |
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-4244966-A | 1,3-Dihydro-3-(2-hydroxy-, 2-bromo- or 2-chloroethyl)-2H-isoindol-1-one derivatives | AMERICAN HOME PRODUCTS CORPORATION (US) | 1981-01-13 | — | — | US | disclosed |