Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 8/20 | 0.46 |
| ▸ | FEN1 | P39748 | 8/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 3/20 | 0.39 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7078412 | 0.83 | WNT3A (0.40) | CNR1WDR5NR4A2DHODHNTRK1 | |
| SCHEMBL6947067 | 0.77 | PTPN1 (0.53) | ERCC5FEN1PTPN1HAO1 | |
| SCHEMBL6947604 | 0.76 | ERCC5 (0.61) | ERCC5FEN1PTPN1HAO1 | |
| SCHEMBL7667672 | 0.75 | PIM2 (0.41) | ERCC5FEN1PTPN1HAO1 | |
| SCHEMBL6950602 | 0.75 | ERCC5 (0.47) | ERCC5FEN1PTPN1HAO1 | |
| SCHEMBL6949748 | 0.72 | ERCC5 (0.53) | ERCC5FEN1PTPN1HAO1 | |
| Dimethylamine SCHEMBL6946035 | 0.72 | PTPN1 (0.68) | ERCC5FEN1PTPN1HAO1 | |
| SCHEMBL6940911 | 0.72 | PTPN1 (0.72) | ERCC5FEN1PTPN1HAO1 | |
| SCHEMBL7667601 | 0.71 | PIM2 (0.56) | — | |
| SCHEMBL16675760 | 0.70 | CNR1 (0.48) | CNR1PTGES2 |
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 |