Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ERCC5 | P28715 | 4/20 | 0.37 |
| ▸ | FEN1 | P39748 | 4/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951319 | 0.88 | ERCC5 (0.39) | KDM4EERCC5FEN1PTPN1ALDH1A1 | |
| Dimethylamine SCHEMBL6943493 | 0.87 | LMNA (0.42) | KDM4EERCC5FEN1PTPN1ALDH1A1 | |
| SCHEMBL6946187 | 0.86 | PTPN1 (0.47) | KDM4EPTPN1ALDH1A1MEN1KMT2A | |
| SCHEMBL6946973 | 0.85 | KDM4E (0.46) | KDM4EERCC5FEN1PTPN1ALDH1A1 | |
| SCHEMBL6943490 | 0.84 | ALDH1A1 (0.45) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL6951983 | 0.81 | KDM4E (0.37) | KDM4EERCC5FEN1PTPN1ALDH1A1 | |
| SCHEMBL6948187 | 0.81 | ERCC5 (0.40) | KDM4EERCC5FEN1PTPN1ALDH1A1 | |
| SCHEMBL6951318 | 0.80 | ERCC5 (0.39) | KDM4EERCC5FEN1PTPN1ALDH1A1 | |
| SCHEMBL6949353 | 0.76 | TUBB4A (0.40) | KDM4EERCC5FEN1ALDH1A1MEN1 | |
| SCHEMBL6948223 | 0.76 | NPC1 (0.47) | ERCC5FEN1PTPN1HPGDNPC1 |
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 |