Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 7/20 | 0.41 |
| ▸ | FEN1 | P39748 | 7/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 8/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | HNF4A | P41235 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6951272 | 0.87 | KDM4E (0.43) | ERCC5FEN1PTPN1PTPN2PTPN6 | |
| SCHEMBL6948187 | 0.85 | ERCC5 (0.40) | ERCC5FEN1PTPN1L3MBTL1KDM4E | |
| SCHEMBL6950058 | 0.84 | ERCC5 (0.39) | ERCC5FEN1PTPN1PTPN2PTPN6 | |
| SCHEMBL6947887 | 0.82 | PTPN1 (0.38) | ERCC5FEN1PTPN1PTPN2PTPN6 | |
| Dimethylamine SCHEMBL6949345 | 0.82 | SMN1; SMN2 (0.41) | ERCC5FEN1PTPN1L3MBTL1KDM4E | |
| SCHEMBL5148099 | 0.80 | IDO1 (0.44) | ERCC5FEN1PTPN1HAO1KDM4E | |
| SCHEMBL6949341 | 0.79 | KDM4E (0.52) | KDM4ELMNATDP1 | |
| Dimethylamine SCHEMBL6950061 | 0.79 | IDO1 (0.44) | ERCC5FEN1PTPN1HAO1KDM4E | |
| SCHEMBL6948110 | 0.78 | MEN1 (0.44) | — | |
| SCHEMBL6943763 | 0.78 | ERCC5 (0.34) | ERCC5FEN1PTPN1L3MBTL1KDM4E |
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 |