Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ERCC5 | P28715 | 5/20 | 0.47 |
| ▸ | FEN1 | P39748 | 5/20 | 0.47 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.46 |
| ▸ | HNF4A | P41235 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 3/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | CFD | P00746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL6946203 | 0.87 | LMNA (0.46) | ERCC5FEN1HAO1HNF4AHPGD | |
| Dimethylamine SCHEMBL6947623 | 0.86 | LMNA (0.46) | ERCC5FEN1HAO1HNF4AHPGD | |
| SCHEMBL5148099 | 0.86 | IDO1 (0.44) | ERCC5FEN1HAO1HNF4ACFD | |
| Dimethylamine SCHEMBL6950061 | 0.85 | IDO1 (0.44) | ERCC5FEN1HAO1HNF4ACFD | |
| SCHEMBL6946973 | 0.84 | KDM4E (0.46) | NPC1ERCC5FEN1HPGDMAPT | |
| SCHEMBL6951239 | 0.83 | HAO1 (0.43) | ERCC5FEN1HAO1HNF4ACFD | |
| SCHEMBL6943337 | 0.82 | ALDH1A1 (0.46) | ERCC5FEN1HAO1HNF4AMAPT | |
| SCHEMBL6945630 | 0.82 | HAO1 (0.42) | ERCC5FEN1HAO1HNF4APTPN1 | |
| SCHEMBL6947620 | 0.82 | LTA4H (0.50) | SMN1; SMN2 | |
| SCHEMBL6950482 | 0.82 | ERCC5 (0.62) | ERCC5FEN1HAO1HNF4APTPN1 |
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 |