Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 10/20 | 0.50 |
| ▸ | FEN1 | P39748 | 10/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | CXCL12 | P48061 | 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 | |
|---|---|---|---|---|
| SCHEMBL6946973 | 0.86 | KDM4E (0.46) | ERCC5FEN1PTPN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6943825 | 0.85 | ERCC5 (0.43) | ERCC5FEN1PTPN1ALDH1A1MAPT | |
| SCHEMBL6947937 | 0.84 | PTPN1 (0.43) | ERCC5FEN1PTPN1MAPTCNR1 | |
| SCHEMBL6947888 | 0.83 | ERCC5 (0.42) | ERCC5FEN1PTPN1ALDH1A1 | |
| SCHEMBL6951323 | 0.83 | ERCC5 (0.56) | ERCC5FEN1PTPN1HMGB1CXCL12 | |
| SCHEMBL28346820 | 0.83 | HMGB1 (0.53) | PTPN1SMN1; SMN2ALDH1A1MAPTHTT | |
| SCHEMBL6949353 | 0.81 | TUBB4A (0.40) | ERCC5FEN1ALDH1A1MAPTHTT | |
| SCHEMBL6949872 | 0.81 | ERCC5 (0.40) | ERCC5FEN1PTPN1ALDH1A1MAPT | |
| SCHEMBL6947089 | 0.81 | PTPN1 (0.40) | ERCC5FEN1PTPN1ALDH1A1CNR1 | |
| SCHEMBL6946187 | 0.80 | PTPN1 (0.47) | PTPN1SMN1; SMN2ALDH1A1MAPTNPSR1 |
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 |