Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 3/20 | 0.39 |
| ▸ | FEN1 | P39748 | 3/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 3/20 | 0.39 |
| ▸ | RNASEH1 | O60930 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6886336 | 0.93 | PIN1 (0.44) | PIN1KMT2AHCRTR1HCRTR2ERCC1 | |
| SCHEMBL6883330 | 0.92 | PIN1 (0.44) | PIN1KMT2AHSP90AA1HSP90AB1HCRTR1 | |
| SCHEMBL6877025 | 0.90 | PIN1 (0.53) | PIN1ERCC1FEN1ERCC4RNASEH1 | |
| SCHEMBL6882673 | 0.89 | ERCC1 (0.42) | PIN1ERCC1FEN1ERCC4RNASEH1 | |
| SCHEMBL6885488 | 0.84 | PIN1 (0.47) | PIN1ERCC1FEN1ERCC4RNASEH1 | |
| SCHEMBL6883326 | 0.83 | ALDH1A1 (0.44) | PIN1RNASEH1KDM4EALDH1A1 | |
| SCHEMBL6884257 | 0.82 | PIN1 (0.38) | PIN1ERCC1FEN1ERCC4RNASEH1 | |
| SCHEMBL6885510 | 0.82 | PIN1 (0.54) | PIN1ERCC1FEN1ERCC4RNASEH1 | |
| SCHEMBL6883616 | 0.82 | PIN1 (0.40) | PIN1HSP90AA1ERCC1FEN1ERCC4 | |
| SCHEMBL6884051 | 0.81 | RNASEH1 (0.46) | 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 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 |