Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.69 |
| ▸ | FEN1 | P39748 | 13/20 | 0.56 |
| ▸ | ERCC5 | P28715 | 12/20 | 0.56 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.50 |
| ▸ | PTGER1 | P34995 | 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 | |
|---|---|---|---|---|
| SCHEMBL6947650 | 0.97 | PTPN1 (0.72) | PTPN1FEN1ERCC5HAO1PTGER1 | |
| SCHEMBL6949821 | 0.89 | PTPN1 (0.64) | PTPN1FEN1ERCC5HAO1PTGER1 | |
| SCHEMBL6946193 | 0.88 | PTPN1 (0.67) | PTPN1FEN1ERCC5HAO1 | |
| SCHEMBL6946220 | 0.86 | PTPN1 (0.71) | PTPN1FEN1ERCC5HAO1PTGER1 | |
| SCHEMBL6947985 | 0.86 | PTPN1 (0.64) | PTPN1FEN1ERCC5HAO1PTGER1 | |
| SCHEMBL7665038 | 0.85 | PTPN1 (0.74) | PTPN1FEN1ERCC5HAO1 | |
| Dimethylamine SCHEMBL6946035 | 0.85 | PTPN1 (0.68) | PTPN1FEN1ERCC5HAO1 | |
| SCHEMBL6948224 | 0.85 | PTPN1 (0.65) | PTPN1FEN1ERCC5HAO1PTGER1 | |
| SCHEMBL6946946 | 0.85 | FEN1 (0.63) | PTPN1FEN1ERCC5HAO1PTGER1 | |
| SCHEMBL6948229 | 0.84 | FEN1 (0.61) | PTPN1FEN1ERCC5HAO1 |
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 |