Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.51 |
| ▸ | FYN | P06241 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 7/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15747016 | 1.00 | CYP2D6 (0.59) | CYP2D6THRBHSD17B10NR3C1FYN | |
| SCHEMBL1726948 | 1.00 | CYP2D6 (0.59) | CYP2D6THRBHSD17B10NR3C1FYN | |
| SCHEMBL17724779 | 1.00 | CYP2D6 (0.59) | CYP2D6THRBHSD17B10NR3C1FYN | |
| SCHEMBL20033571 | 1.00 | CYP2D6 (0.59) | CYP2D6THRBHSD17B10NR3C1FYN | |
| SCHEMBL17192718 | 1.00 | CYP2D6 (0.59) | CYP2D6THRBHSD17B10NR3C1FYN | |
| SCHEMBL1687338 | 1.00 | CYP2D6 (0.59) | CYP2D6THRBHSD17B10NR3C1FYN | |
| SCHEMBL18105805 | 1.00 | CYP2D6 (0.59) | CYP2D6THRBHSD17B10NR3C1FYN | |
| SCHEMBL15040789 | 1.00 | CYP2D6 (0.59) | CYP2D6THRBHSD17B10NR3C1FYN | |
| SCHEMBL414930 | 1.00 | CYP2D6 (0.59) | CYP2D6THRBHSD17B10NR3C1FYN | |
| SCHEMBL8515524 | 1.00 | CYP2D6 (0.59) | CYP2D6THRBHSD17B10NR3C1FYN |
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-3214090-A1 | THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION | Fujifilm Corporation (JP) | 2017-09-06 | — | — | EP | disclosed |