Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7797338 | 0.81 | NPSR1 (0.46) | SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL7797302 | 0.80 | SMN1; SMN2 (0.50) | SMN1; SMN2TSHRHSD17B10PKMGSTP1 | |
| SCHEMBL21636809 | 0.78 | GSTP1 (0.38) | SMN1; SMN2ALDH1A1GSTP1 | |
| SCHEMBL7791067 | 0.78 | SMN1; SMN2 (0.41) | SMN1; SMN2TSHRHSD17B10PKMGSTP1 | |
| SCHEMBL7801826 | 0.76 | SMN1; SMN2 (0.42) | SMN1; SMN2TSHRHSD17B10PKMALDH1A1 | |
| SCHEMBL7131325 | 0.75 | — | — | |
| SCHEMBL19240723 | 0.70 | HCAR2 (0.36) | SMN1; SMN2ALDH1A1GSTP1 | |
| SCHEMBL1068883 | 0.69 | HCAR2 (0.37) | TSHRALDH1A1GSTP1 | |
| SCHEMBL1068880 | 0.69 | HCAR2 (0.37) | TSHRALDH1A1GSTP1 | |
| SCHEMBL13067991 | 0.69 | ALDH1A1 (0.40) | SMN1; SMN2TSHRHSD17B10ALDH1A1 |
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-1164125-A1 | ADAMANTANE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | Daicel Chemical Industries, Ltd. (JP) | 2001-12-19 | — | — | EP | disclosed |