Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.31 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.31 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.30 |
| ▸ | RBP4 | P02753 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL1509903 | 0.96 | PTGER2 (0.35) | TSHRPTGER3PTGER2VCAM1 | |
| SCHEMBL13650694 | 0.80 | MT-CO2 (0.31) | MT-CO2ALOX5 | |
| SCHEMBL6767254 | 0.80 | TSHR (0.37) | TSHR | |
| SCHEMBL3780732 | 0.79 | TSHR (0.36) | TSHR | |
| SCHEMBL208988 | 0.79 | TSHR (0.36) | TSHR | |
| SCHEMBL4969197 | 0.77 | TSHR (0.33) | TSHRPTGER2 | |
| SCHEMBL23111823 | 0.76 | TSHR (0.35) | TSHRPTGER2 | |
| SCHEMBL30806937 | 0.76 | TSHR (0.33) | TSHR | |
| SCHEMBL23253120 | 0.75 | — | — | |
| SCHEMBL12793186 | 0.75 | MT-CO2 (0.33) | MT-CO2ALOX5 |
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-6242430-B1 | Cyclodextrin-based rotaxane dyes, labeling agent using the dye, and a method for labeling | LABORATORY OF MOLECULAR BIOPHOTONICS (JP) | 2001-06-05 | — | — | US | disclosed |