Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.68 |
| ▸ | ERCC5 | P28715 | 9/20 | 0.62 |
| ▸ | FEN1 | P39748 | 9/20 | 0.62 |
| ▸ | HAO1 | Q9UJM8 | 3/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6940911 | 0.97 | PTPN1 (0.72) | PTPN1ERCC5FEN1HAO1PRSS1 | |
| Dimethylamine SCHEMBL6951644 | 0.88 | FEN1 (0.73) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6948181 | 0.88 | PTPN1 (0.61) | PTPN1ERCC5FEN1HAO1LMNA | |
| SCHEMBL6949871 | 0.87 | PTPN1 (0.67) | PTPN1ERCC5FEN1HAO1PRSS1 | |
| SCHEMBL7665038 | 0.85 | PTPN1 (0.74) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6947604 | 0.85 | ERCC5 (0.61) | PTPN1ERCC5FEN1HAO1LMNA | |
| Dimethylamine SCHEMBL6943573 | 0.85 | PTPN1 (0.69) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6951230 | 0.85 | FEN1 (0.77) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6943572 | 0.85 | PTPN1 (0.69) | PTPN1ERCC5FEN1HAO1LMNA | |
| SCHEMBL6946047 | 0.85 | PTPN1 (0.61) | 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 |