Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 8/20 | 0.41 |
| ▸ | FEN1 | P39748 | 8/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 5/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7671810 | 0.86 | CYP19A1 (0.46) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6947604 | 0.81 | ERCC5 (0.61) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL7078991 | 0.81 | ALDH1A1 (0.34) | HDAC6HDAC1 | |
| SCHEMBL7073644 | 0.80 | HDAC1 (0.53) | PTPN1ERCC5FEN1HAO1HDAC6 | |
| SCHEMBL7078206 | 0.80 | CYP19A1 (0.51) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL7078353 | 0.75 | HDAC1 (0.39) | PTPN1HDAC6HDAC1 | |
| SCHEMBL6950010 | 0.74 | ALDH1A1 (0.50) | PTPN1ERCC5FEN1HAO1HDAC1 | |
| SCHEMBL7073904 | 0.73 | TBXAS1 (0.52) | PTPN1ERCC5FEN1 | |
| SCHEMBL6949384 | 0.72 | ERCC5 (0.46) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6949748 | 0.72 | ERCC5 (0.53) | PTPN1ERCC5FEN1HAO1 |
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-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | claimed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | claimed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | claimed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |