Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 13/20 | 0.41 |
| ▸ | CA1 | P00915 | 13/20 | 0.41 |
| ▸ | CA2 | P00918 | 13/20 | 0.41 |
| ▸ | CA4 | P22748 | 8/20 | 0.41 |
| ▸ | CA5A | P35218 | 8/20 | 0.41 |
| ▸ | CA7 | P43166 | 8/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 8/20 | 0.41 |
| ▸ | CA9 | Q16790 | 7/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17794446 | 0.80 | TSHR (0.48) | TSHRTHRBCYP2D6HSD17B10NR3C1 | |
| SCHEMBL7151005 | 0.80 | TSHR (0.48) | TSHRTHRBCYP2D6HSD17B10NR3C1 | |
| SCHEMBL7155828 | 0.80 | TSHR (0.48) | TSHRTHRBCYP2D6HSD17B10NR3C1 | |
| SCHEMBL7152306 | 0.80 | TSHR (0.48) | TSHRTHRBCYP2D6HSD17B10NR3C1 | |
| SCHEMBL11778919 | 0.80 | TSHR (0.48) | TSHRTHRBCYP2D6HSD17B10NR3C1 | |
| SCHEMBL8197918 | 0.78 | TSHR (0.47) | TSHRTHRBCYP2D6HSD17B10NR3C1 | |
| SCHEMBL2588471 | 0.78 | TSHR (0.47) | TSHRTHRBCYP2D6HSD17B10NR3C1 | |
| SCHEMBL9694585 | 0.75 | TSHR (0.46) | TSHRTHRBCYP2D6HSD17B10NR3C1 | |
| SCHEMBL6239338 | 0.75 | TSHR (0.46) | TSHRTHRBCYP2D6HSD17B10NR3C1 | |
| SCHEMBL11167401 | 0.71 | THRB (0.64) | TSHRTHRBCYP2D6HSD17B10NR3C1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934325-A4 | TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES | PHARMASSET LTD (US) | 2000-08-16 | — | — | EP | disclosed |
| EP-0934325-A1 | TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES | Pharmasset, Ltd. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998015563-A1 | TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES | PHARMASSET, LTD. (US) | 1998-04-16 | — | — | WO | disclosed |