Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 2/20 | 0.44 |
| ▸ | FEN1 | P39748 | 2/20 | 0.44 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6883972 | 0.90 | PIN1 (0.48) | ERCC1FEN1ERCC4PIN1HSD17B2 | |
| SCHEMBL6884889 | 0.88 | PIN1 (0.55) | ERCC1FEN1ERCC4PIN1 | |
| SCHEMBL6886248 | 0.88 | HSP90AA1 (0.46) | ERCC1FEN1ERCC4PIN1MEN1 | |
| SCHEMBL6884690 | 0.87 | PIN1 (0.44) | ERCC1FEN1ERCC4PIN1 | |
| SCHEMBL6882799 | 0.87 | ERCC1 (0.40) | ERCC1FEN1ERCC4PIN1 | |
| SCHEMBL6883275 | 0.84 | RNASEH1 (0.40) | ERCC1FEN1ERCC4TNKSPIN1 | |
| SCHEMBL6886280 | 0.83 | HTR7 (0.43) | ERCC1FEN1ERCC4PIN1HSD17B2 | |
| SCHEMBL6883330 | 0.82 | PIN1 (0.44) | ERCC1FEN1ERCC4PIN1KMT2A | |
| SCHEMBL6881498 | 0.80 | PIN1 (0.39) | ERCC1FEN1ERCC4PIN1 | |
| SCHEMBL6877025 | 0.80 | PIN1 (0.53) | ERCC1FEN1ERCC4PIN1 |
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 2 patents. 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 | claimed |
| WO-2004096128-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-11 | — | — | WO | disclosed |