Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6236654 | 0.70 | TDP1 (0.39) | TDP1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9240885 | 0.70 | — | — | |
| SCHEMBL9240883 | 0.70 | — | — | |
| SCHEMBL10519974 | 0.69 | — | — | |
| SCHEMBL7172126 | 0.69 | — | — | |
| SCHEMBL6039933 | 0.69 | — | — | |
| SCHEMBL2332604 | 0.69 | — | — | |
| SCHEMBL2234480 | 0.67 | — | — | |
| SCHEMBL10349045 | 0.67 | TDP1 (0.37) | TDP1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL5581336 | 0.67 | — | — |
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-0948523-B1 | PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE | BOEHRINGER INGELHEIM CA LTD (CA) | 2004-03-17 | — | — | EP | disclosed |