Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.43 |
| ▸ | ERCC1 | P07992 | 2/20 | 0.41 |
| ▸ | FEN1 | P39748 | 2/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6883583 | 0.93 | ERCC1 (0.44) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6886352 | 0.91 | PIN1 (0.46) | PIN1ERCC1FEN1ERCC4HSP90AA1 | |
| SCHEMBL6881498 | 0.89 | PIN1 (0.39) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6885455 | 0.89 | MEN1 (0.42) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6884260 | 0.89 | PIN1 (0.41) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6883616 | 0.86 | PIN1 (0.40) | PIN1ERCC1FEN1ERCC4HSP90AA1 | |
| SCHEMBL6883448 | 0.86 | RNASEH1 (0.44) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6886242 | 0.84 | HSP90AA1 (0.40) | PIN1ERCC1FEN1ERCC4HSP90AA1 | |
| SCHEMBL6884192 | 0.84 | PIN1 (0.37) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6646945 | 0.84 | ERCC1 (0.50) | PIN1ERCC1FEN1ERCC4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004096128-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-11 | — | — | WO | disclosed |