Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.45 |
| ▸ | ERCC5 | P28715 | 6/20 | 0.43 |
| ▸ | FEN1 | P39748 | 6/20 | 0.43 |
| ▸ | VNN1 | O95497 | 1/20 | 0.42 |
| ▸ | HAO1 | Q9UJM8 | 3/20 | 0.41 |
| ▸ | ITK | Q08881 | 1/20 | 0.40 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6949384 | 0.86 | ERCC5 (0.46) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL7073904 | 0.85 | TBXAS1 (0.52) | PTPN1ERCC5FEN1PLOD2TBXAS1 | |
| SCHEMBL6950602 | 0.84 | ERCC5 (0.47) | PTPN1ERCC5FEN1HAO1PLOD2 | |
| SCHEMBL6947604 | 0.83 | ERCC5 (0.61) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6948039 | 0.83 | LMNA (0.53) | VNN1TBXAS1 | |
| SCHEMBL7077399 | 0.82 | SMN1; SMN2 (0.38) | VNN1PLOD2ALDH1A1 | |
| SCHEMBL7671810 | 0.76 | CYP19A1 (0.46) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL3048473 | 0.76 | ALDH1A1 (0.50) | VNN1CYP2C9ALDH1A1 | |
| SCHEMBL7079566 | 0.75 | MEN1 (0.40) | VNN1CYP2C9ALDH1A1 | |
| SCHEMBL6948385 | 0.75 | PTPN1 (0.70) | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | claimed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | claimed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | claimed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | 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 |