Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SGMS2 | Q8NHU3 | 6/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | ERCC5 | P28715 | 3/20 | 0.53 |
| ▸ | FEN1 | P39748 | 3/20 | 0.53 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6243854 | 0.87 | NPC1 (0.64) | SGMS2NPC1GAAHTTMEN1 | |
| SCHEMBL4879716 | 0.87 | SGMS2 (0.56) | SGMS2NPC1GAAHTTMEN1 | |
| SCHEMBL7901173 | 0.85 | PTPN1 (0.65) | NPC1PTPN1MEN1KMT2AALDH1A1 | |
| SCHEMBL30535266 | 0.83 | SGMS2 (0.52) | SGMS2NPC1GAAHTTMEN1 | |
| SCHEMBL69725 | 0.83 | SGMS2 (0.52) | SGMS2NPC1GAAHTTMEN1 | |
| SCHEMBL7531833 | 0.83 | SGMS2 (0.58) | SGMS2NPC1GAAHTTMEN1 | |
| SCHEMBL3679181 | 0.82 | SGMS2 (0.60) | SGMS2NPC1GAAHTTMEN1 | |
| SCHEMBL7158007 | 0.81 | SGMS2 (0.53) | SGMS2NPC1GAAHTTMEN1 | |
| SCHEMBL19156329 | 0.81 | SGMS2 (0.59) | SGMS2NPC1GAAHTTMEN1 | |
| SCHEMBL4431127 | 0.81 | SGMS2 (0.59) | SGMS2NPC1GAAHTTMEN1 |
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-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | 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 |
| US-4005201-A | DIURETICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1977-01-25 | — | — | US | disclosed |