Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 3/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.45 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
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 | 0.88 | PIN1 (0.48) | PIN1HSD17B2ERCC1FEN1ERCC4 | |
| SCHEMBL6877071 | 0.87 | PIN1 (0.47) | PIN1HSD17B2ERCC1FEN1ERCC4 | |
| SCHEMBL6885410 | 0.86 | PIN1 (0.60) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6883598 | 0.85 | TNKS (0.43) | PIN1ERCC1FEN1ERCC4KMT2A | |
| SCHEMBL6649378 | 0.82 | ERCC1 (0.58) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6884321 | 0.82 | HSD17B1 (0.44) | PIN1HSD17B2ERCC1FEN1ERCC4 | |
| SCHEMBL6885488 | 0.82 | PIN1 (0.47) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6884647 | 0.81 | ERCC1 (0.43) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6886274 | 0.81 | ALOX5 (0.49) | PIN1ERCC1FEN1ERCC4 | |
| SCHEMBL6646945 | 0.81 | 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 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 |