Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 1/20 | 0.40 |
| ▸ | HEXB | P07686 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5721654 | 0.88 | DHFR (0.34) | HEXAHEXB | |
| SCHEMBL5721200 | 0.88 | HEXA (0.35) | HEXAHEXBPTGS1PTGS2 | |
| SCHEMBL5721694 | 0.87 | PDCD1 (0.31) | — | |
| SCHEMBL5721611 | 0.85 | HEXA (0.37) | HEXAHEXBPTGS1PTGS2 | |
| SCHEMBL5721736 | 0.85 | HEXA (0.34) | HEXAHEXB | |
| SCHEMBL5721641 | 0.84 | DHFR (0.32) | — | |
| SCHEMBL5721804 | 0.84 | HEXA (0.32) | HEXAHEXB | |
| SCHEMBL27446349 | 0.81 | HTR7 (0.35) | HEXAHEXB | |
| SCHEMBL5721167 | 0.80 | HEXA (0.34) | HEXAHEXBPTGS1PTGS2 | |
| SCHEMBL5721742 | 0.79 | DHFR (0.32) | — |
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-1640377-A1 | Metallocenes and catalyst compositions derived therefrom | Exxonmobil Chemical Patents Inc. (US) | 2006-03-29 | — | — | EP | disclosed |