Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.61 |
| ▸ | ERCC5 | P28715 | 8/20 | 0.55 |
| ▸ | FEN1 | P39748 | 8/20 | 0.55 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL6946035 | 0.88 | PTPN1 (0.68) | PTPN1ERCC5FEN1HAO1LMNA | |
| SCHEMBL6940911 | 0.88 | PTPN1 (0.72) | PTPN1ERCC5FEN1HAO1MEN1 | |
| Dimethylamine SCHEMBL6951644 | 0.83 | FEN1 (0.73) | PTPN1ERCC5FEN1HAO1CTBP2 | |
| SCHEMBL7665038 | 0.83 | PTPN1 (0.74) | PTPN1ERCC5FEN1HAO1NPC1 | |
| SCHEMBL6951230 | 0.82 | FEN1 (0.77) | PTPN1ERCC5FEN1HAO1CTBP2 | |
| SCHEMBL6946047 | 0.82 | PTPN1 (0.61) | PTPN1ERCC5FEN1HAO1NPC1 | |
| SCHEMBL6949748 | 0.82 | ERCC5 (0.53) | PTPN1ERCC5FEN1HAO1NPC1 | |
| SCHEMBL6943572 | 0.82 | PTPN1 (0.69) | PTPN1ERCC5FEN1HAO1NPC1 | |
| SCHEMBL6946974 | 0.82 | ERCC5 (0.62) | PTPN1ERCC5FEN1NPC1RAB9A | |
| SCHEMBL6945130 | 0.81 | FEN1 (0.66) | 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 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 |