Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.72 |
| ▸ | ERCC5 | P28715 | 6/20 | 0.61 |
| ▸ | FEN1 | P39748 | 6/20 | 0.61 |
| ▸ | HAO1 | Q9UJM8 | 5/20 | 0.58 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6943441 | 0.84 | PTPN1 (1.00) | PTPN1ERCC5FEN1HAO1NR3C1 | |
| SCHEMBL11353086 | 0.80 | CYP2C19 (0.58) | PTPN1CNR2CYP2C19NR3C1AKT1 | |
| SCHEMBL653857 | 0.80 | CYP2C19 (0.58) | PTPN1CNR2CYP2C19NR3C1MEN1 | |
| SCHEMBL6951660 | 0.78 | ERCC5 (0.71) | PTPN1ERCC5FEN1HAO1MEN1 | |
| SCHEMBL1109671 | 0.77 | ERCC5 (1.00) | PTPN1ERCC5FEN1HAO1CYP2C19 | |
| SCHEMBL10972849 | 0.77 | LMNA (0.59) | PTPN1CNR2CYP2C19NR3C1MEN1 | |
| SCHEMBL649142 | 0.76 | RAB9A (0.57) | CNR2CYP2C19NR3C1MEN1KMT2A | |
| SCHEMBL30364011 | 0.75 | ERCC5 (0.95) | PTPN1ERCC5FEN1HAO1CYP2C19 | |
| SCHEMBL27316384 | 0.75 | ERCC5 (0.95) | PTPN1ERCC5FEN1HAO1CYP2C19 | |
| SCHEMBL27573155 | 0.75 | ERCC5 (0.95) | PTPN1ERCC5FEN1HAO1CYP2C19 |
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 |