Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 5/20 | 0.55 |
| ▸ | ERCC1 | P07992 | 3/20 | 0.53 |
| ▸ | FEN1 | P39748 | 3/20 | 0.53 |
| ▸ | ERCC4 | Q92889 | 3/20 | 0.53 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6877025 | 0.91 | PIN1 (0.53) | PIN1ERCC1FEN1ERCC4RNASEH1 | |
| SCHEMBL6884690 | 0.91 | PIN1 (0.44) | PIN1ERCC1FEN1ERCC4RNASEH1 | |
| SCHEMBL6883330 | 0.89 | PIN1 (0.44) | PIN1ERCC1FEN1ERCC4RNASEH1 | |
| SCHEMBL6884629 | 0.88 | ERCC1 (0.44) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6881534 | 0.88 | PIN1 (0.70) | PIN1ERCC1FEN1ERCC4RNASEH1 | |
| SCHEMBL6883972 | 0.88 | PIN1 (0.48) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6885510 | 0.87 | PIN1 (0.54) | PIN1ERCC1FEN1ERCC4RNASEH1 | |
| SCHEMBL6885506 | 0.86 | ALDH1A1 (0.46) | PIN1 | |
| SCHEMBL6885420 | 0.86 | PIN1 (0.40) | PIN1ERCC1FEN1ERCC4RNASEH1 | |
| SCHEMBL6885410 | 0.85 | PIN1 (0.60) | PIN1ERCC1FEN1ERCC4RNASEH1 |
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 |