Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.57 |
| ▸ | ERCC5 | P28715 | 4/20 | 0.51 |
| ▸ | FEN1 | P39748 | 4/20 | 0.51 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.50 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.48 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7073904 | 0.88 | TBXAS1 (0.52) | PTPN1ERCC5FEN1PLOD2TBXAS1 | |
| SCHEMBL6940911 | 0.84 | PTPN1 (0.72) | PTPN1ERCC5FEN1HAO1MEN1 | |
| SCHEMBL10953411 | 0.83 | TBXAS1 (0.49) | PLOD2TBXAS1MEN1TP53CYP3A4 | |
| SCHEMBL13403930 | 0.83 | KMO (0.59) | TBXAS1NAPRT | |
| Dimethylamine SCHEMBL6946035 | 0.81 | PTPN1 (0.68) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6946047 | 0.79 | PTPN1 (0.61) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6943572 | 0.79 | PTPN1 (0.69) | PTPN1ERCC5FEN1HAO1MEN1 | |
| SCHEMBL6951230 | 0.79 | FEN1 (0.77) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6948181 | 0.79 | PTPN1 (0.61) | PTPN1ERCC5FEN1HAO1MEN1 | |
| SCHEMBL7445061 | 0.79 | F7 (0.59) | TBXAS1MEN1TP53CYP3A4BLM |
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 |