Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 9/20 | 0.41 |
| ▸ | ESR1 | P03372 | 7/20 | 0.41 |
| ▸ | DRD1 | P21728 | 5/20 | 0.37 |
| ▸ | DRD2 | P14416 | 4/20 | 0.37 |
| ▸ | DRD5 | P21918 | 4/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL19370652 | 0.88 | HSD17B3 (0.37) | — | |
| SCHEMBL19370821 | 0.86 | ESR1 (0.44) | ESR2ESR1DRD1DRD2DRD5 | |
| SCHEMBL19370918 | 0.86 | SCN9A (0.39) | DRD2 | |
| SCHEMBL26003508 | 0.84 | AKR1C3 (0.35) | — | |
| SCHEMBL19370874 | 0.80 | NOTUM (0.39) | — | |
| SCHEMBL27320692 | 0.76 | NPC1 (0.42) | — | |
| SCHEMBL21622035 | 0.76 | NPC1 (0.42) | — | |
| SCHEMBL27318856 | 0.76 | NPC1 (0.42) | — | |
| SCHEMBL25997931 | 0.75 | KRAS (0.36) | — | |
| SCHEMBL15142196 | 0.69 | DRD1 (0.54) | ESR2ESR1DRD1DRD2DRD5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017161119-A1 | SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION | H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) | 2017-09-21 | — | — | WO | disclosed |