Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.41 |
| ▸ | FEN1 | P39748 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7079785 | 0.83 | CYP19A1 (0.56) | HDAC1HDAC6CYP19A1LMNA | |
| SCHEMBL6947604 | 0.81 | ERCC5 (0.61) | PTPN1ERCC5FEN1LMNAHAO1 | |
| SCHEMBL7671810 | 0.81 | CYP19A1 (0.46) | CYP19A1PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL7077342 | 0.81 | HDAC1 (0.45) | HDAC1HDAC6CYP19A1LMNA | |
| SCHEMBL7078206 | 0.80 | CYP19A1 (0.51) | CYP19A1PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6949253 | 0.80 | PTPN1 (0.42) | HDAC1HDAC6PTPN1ERCC5FEN1 | |
| SCHEMBL6479536 | 0.77 | CYP19A1 (0.48) | HDAC1HDAC6CYP19A1LMNA | |
| SCHEMBL6480049 | 0.77 | CYP19A1 (0.60) | HDAC1HDAC6CYP19A1LMNA | |
| SCHEMBL7081887 | 0.76 | CYP19A1 (0.64) | HDAC1HDAC6CYP19A1LMNA | |
| SCHEMBL7073904 | 0.76 | TBXAS1 (0.52) | PTPN1ERCC5FEN1 |
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 |