Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7818173 | 0.78 | FEN1 (0.52) | HCAR3TYMSRAB9ASMN1; SMN2CA12 | |
| SCHEMBL7828343 | 0.76 | GSK3B (0.42) | GSK3BLMNATSHRALDH1A1L3MBTL1 | |
| SCHEMBL7832388 | 0.75 | CRHBP (0.44) | GSK3BLMNATSHRMAPTHDAC6 | |
| SCHEMBL7818253 | 0.72 | ALDH1A1 (0.41) | GSK3BLMNATSHRALDH1A1CYP2C19 | |
| SCHEMBL2872059 | 0.71 | GSK3B (0.67) | GSK3BLMNATSHRALDH1A1L3MBTL1 | |
| SCHEMBL6978676 | 0.70 | F2 (0.44) | ALDH1A1MAPTKDM4EGAAHCAR3 | |
| SCHEMBL3199622 | 0.68 | ALDH1A1 (0.60) | GSK3BLMNATSHRALDH1A1L3MBTL1 | |
| SCHEMBL1798146 | 0.67 | ALDH1A1 (0.56) | GSK3BLMNATSHRALDH1A1L3MBTL1 | |
| SCHEMBL7818275 | 0.67 | HDAC4 (0.45) | GSK3BTSHRALDH1A1KDM4EHDAC6 | |
| SCHEMBL11160378 | 0.66 | F2 (0.58) | GSK3BLMNATSHRALDH1A1L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086091-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6262055-B1 | SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES | MERCK & CO., INC. | 2001-07-17 | — | — | US | disclosed |
| EP-1086091-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999062897-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |