Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP1 | P07148 | 1/20 | 0.39 |
| ▸ | FABP6 | P51161 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.35 |
| ▸ | ITGAV | P06756 | 2/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.35 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6947887 | 0.79 | PTPN1 (0.38) | L3MBTL1ALDH1A1HPGDPTPN1PTPN2 | |
| SCHEMBL6943763 | 0.79 | ERCC5 (0.34) | L3MBTL1ALDH1A1MAPTPTPN1LMNA | |
| SCHEMBL6951272 | 0.78 | KDM4E (0.43) | ALDH1A1PTPN1PTPN2PTPN6LMNA | |
| SCHEMBL7074788 | 0.77 | CYP19A1 (0.39) | PTPN1PTPN2PTPN6 | |
| SCHEMBL6947879 | 0.77 | ERCC5 (0.41) | L3MBTL1MAPTPTPN1PTPN2PTPN6 | |
| SCHEMBL6948187 | 0.76 | ERCC5 (0.40) | L3MBTL1ALDH1A1HPGDGAAMAPT | |
| SCHEMBL6948110 | 0.76 | MEN1 (0.44) | ALDH1A1HPGDPOLBMEN1KMT2A | |
| Dimethylamine SCHEMBL6949345 | 0.75 | SMN1; SMN2 (0.41) | L3MBTL1NPSR1ALDH1A1HPGDPOLB | |
| SCHEMBL7077955 | 0.75 | CYP19A1 (0.39) | MEN1KMT2ALMNA | |
| SCHEMBL6950058 | 0.75 | ERCC5 (0.39) | ALDH1A1PTPN1PTPN2PTPN6LMNA |
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 |