Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.56 |
| ▸ | ERCC5 | P28715 | 10/20 | 0.53 |
| ▸ | FEN1 | P39748 | 10/20 | 0.53 |
| ▸ | HAO1 | Q9UJM8 | 4/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | LDHB | P07195 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6948444 | 0.84 | PTPN1 (0.52) | PTPN1ERCC5FEN1HAO1LDHA | |
| SCHEMBL7665038 | 0.84 | PTPN1 (0.74) | PTPN1ERCC5FEN1HAO1MEN1 | |
| SCHEMBL6949890 | 0.83 | ERCC5 (0.60) | PTPN1ERCC5FEN1HAO1LDHA | |
| SCHEMBL6945641 | 0.83 | PTPN1 (0.71) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6946238 | 0.82 | PTPN1 (0.53) | PTPN1ERCC5FEN1HAO1LMNA | |
| SCHEMBL6949523 | 0.82 | PTPN1 (0.53) | PTPN1ERCC5FEN1HAO1MEN1 | |
| SCHEMBL6493687 | 0.82 | TSHR (0.56) | PTPN1LDHALDHBRXRALMNA | |
| SCHEMBL12117445 | 0.79 | ALDH1A1 (0.49) | LDHALDHBRXRALMNA | |
| Dimethylamine SCHEMBL6946035 | 0.78 | PTPN1 (0.68) | PTPN1ERCC5FEN1HAO1LMNA | |
| SCHEMBL6940911 | 0.77 | PTPN1 (0.72) | PTPN1ERCC5FEN1HAO1MEN1 |
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 |