Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.38 |
| ▸ | FEN1 | P39748 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRD2 | P25440 | 1/20 | 0.36 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.36 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7184197 | 0.86 | FEN1 (0.54) | KLKB1CYP2C19AKR1B1PTPN1ERCC5 | |
| SCHEMBL10590280 | 0.81 | TSHR (0.50) | KLKB1CYP2C19AKR1B1CA1CA2 | |
| SCHEMBL7189635 | 0.79 | ERCC5 (0.50) | ERCC5FEN1CDK5CDK5R1KMT2A | |
| SCHEMBL10296127 | 0.78 | MAPT (0.53) | KLKB1CYP2C19AKR1B1CA12CA1 | |
| SCHEMBL7191520 | 0.77 | ERCC5 (0.43) | KLKB1PTPN1ERCC5FEN1KMT2A | |
| SCHEMBL4670870 | 0.76 | CYP2C19 (0.53) | KLKB1CYP2C19AKR1B1CA12CA1 | |
| SCHEMBL2514239 | 0.76 | CYP2C19 (0.55) | KLKB1CYP2C19AKR1B1CA12CA1 | |
| SCHEMBL1109662 | 0.76 | ERCC5 (0.64) | CYP2C19PTPN1ERCC5FEN1CYP1A2 | |
| SCHEMBL7190675 | 0.75 | ALDH1A1 (0.43) | KLKB1PTPN1ERCC5FEN1KMT2A | |
| SCHEMBL7191455 | 0.75 | FEN1 (0.58) | PTPN1ERCC5FEN1SMN1; SMN2 |
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-1083897-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-01-02 | — | — | EP | claimed |
| US-6306891-B1 | INHIBITORS OF HIV INTEGRASE AND INHIBITORS OF HIV REPLICATION. THESE COMPOUNDS ARE USEFUL IN THE PREVENTION OR TREATMENT OF INFECTION BY HIV TREATMENT OF AIDS, EITHER AS COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS | MERCK & CO., INC. | 2001-10-23 | — | — | US | claimed |
| EP-1083897-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-21 | — | — | EP | claimed |
| WO-1999062513-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1083897-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-01-02 | — | — | EP | disclosed |
| US-6306891-B1 | INHIBITORS OF HIV INTEGRASE AND INHIBITORS OF HIV REPLICATION. THESE COMPOUNDS ARE USEFUL IN THE PREVENTION OR TREATMENT OF INFECTION BY HIV TREATMENT OF AIDS, EITHER AS COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS | MERCK & CO., INC. | 2001-10-23 | — | — | US | disclosed |
| EP-1083897-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062513-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |