Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RNASEH1 | O60930 | 1/20 | 0.62 |
| ▸ | ERCC5 | P28715 | 12/20 | 0.56 |
| ▸ | FEN1 | P39748 | 12/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4674428 | 0.83 | CA1 (0.44) | HDAC1HDAC3HDAC4HDAC6HPGD | |
| SCHEMBL7828370 | 0.80 | HDAC6 (0.43) | HDAC1HDAC3HDAC4HDAC6HPGD | |
| SCHEMBL6359842 | 0.79 | HDAC1 (0.47) | RNASEH1HDAC1HDAC3HDAC4HDAC6 | |
| SCHEMBL3950590 | 0.77 | RNASEH1 (1.00) | RNASEH1ERCC5FEN1PTPN1HAO1 | |
| SCHEMBL7826766 | 0.76 | CDK2 (0.46) | RNASEH1ERCC5FEN1PTPN1HDAC1 | |
| SCHEMBL7830529 | 0.76 | ERCC5 (0.59) | RNASEH1ERCC5FEN1PTPN1HAO1 | |
| SCHEMBL21450438 | 0.75 | MMP3 (0.47) | PTPN1HPGD | |
| SCHEMBL7828353 | 0.75 | ERCC5 (0.57) | RNASEH1ERCC5FEN1PTPN1HAO1 | |
| SCHEMBL6356788 | 0.74 | MEN1 (0.56) | HDAC1HDAC3HDAC4HDAC6HPGD | |
| SCHEMBL7828346 | 0.72 | ERCC5 (0.55) | RNASEH1ERCC5FEN1PTPN1HAO1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086091-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2001-10-10 | — | — | EP | claimed |
| US-6262055-B1 | SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES | MERCK & CO., INC. | 2001-07-17 | — | — | US | claimed |
| EP-1086091-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2001-03-28 | — | — | EP | claimed |
| WO-1999062897-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1086091-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6262055-B1 | SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES | MERCK & CO., INC. | 2001-07-17 | — | — | US | disclosed |
| EP-1086091-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999062897-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |