Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.67 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.55 |
| ▸ | ERCC5 | P28715 | 8/20 | 0.54 |
| ▸ | FEN1 | P39748 | 8/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| SCHEMBL6943572 | 0.90 | PTPN1 (0.69) | PTPN1HAO1ERCC5FEN1LMNA | |
| SCHEMBL6940911 | 0.90 | PTPN1 (0.72) | PTPN1HAO1ERCC5FEN1MAPK1 | |
| SCHEMBL6947084 | 0.87 | PTPN1 (0.70) | PTPN1HAO1ERCC5FEN1CA1 | |
| Dimethylamine SCHEMBL6946035 | 0.87 | PTPN1 (0.68) | PTPN1HAO1ERCC5FEN1LMNA | |
| SCHEMBL6947076 | 0.84 | PTPN1 (0.77) | PTPN1HAO1ERCC5FEN1LMNA | |
| SCHEMBL6949953 | 0.84 | PTPN1 (0.65) | PTPN1HAO1ERCC5FEN1 | |
| SCHEMBL6948227 | 0.84 | PTPN1 (0.77) | PTPN1HAO1ERCC5FEN1LMNA | |
| SCHEMBL6951235 | 0.83 | PTPN1 (0.68) | PTPN1HAO1ERCC5FEN1LMNA | |
| SCHEMBL6946155 | 0.83 | PTPN1 (0.76) | PTPN1HAO1ERCC5FEN1 | |
| SCHEMBL6947859 | 0.83 | PTPN1 (0.67) | PTPN1HAO1ERCC5FEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | 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 |