Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.70 |
| ▸ | ERCC5 | P28715 | 6/20 | 0.54 |
| ▸ | FEN1 | P39748 | 6/20 | 0.54 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7665038 | 0.84 | PTPN1 (0.74) | PTPN1ERCC5FEN1KMT2AHAO1 | |
| SCHEMBL6943340 | 0.84 | PTPN1 (0.74) | PTPN1ERCC5FEN1KMT2AHAO1 | |
| SCHEMBL6940911 | 0.83 | PTPN1 (0.72) | PTPN1ERCC5FEN1TDP1KMT2A | |
| SCHEMBL6947650 | 0.83 | PTPN1 (0.72) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL7072874 | 0.83 | PTPN1 (1.00) | PTPN1ERCC5FEN1HAO1MRGPRX4 | |
| SCHEMBL6951914 | 0.83 | PTPN1 (0.72) | PTPN1ERCC5FEN1KMT2AHAO1 | |
| Dimethylamine SCHEMBL6943573 | 0.81 | PTPN1 (0.69) | PTPN1ERCC5FEN1HAO1 | |
| Dimethylamine SCHEMBL6946035 | 0.80 | PTPN1 (0.68) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6951331 | 0.80 | PTPN1 (0.67) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6944426 | 0.80 | PTPN1 (0.67) | PTPN1ERCC5FEN1KMT2AMRGPRX4 |
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 |