Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6555611 | 0.98 | TDP1 (0.40) | TDP1PTPN7 | |
| SCHEMBL6555875 | 0.98 | TDP1 (0.40) | TDP1PTPN7 | |
| SCHEMBL6555665 | 0.95 | TDP1 (0.41) | TDP1PTGS2ALDH1A1TSHRPSIP1 | |
| SCHEMBL31264382 | 0.87 | MCHR1 (0.41) | TDP1ALDH1A1TSHR | |
| SCHEMBL577530 | 0.83 | PARL (0.46) | TDP1ALDH1A1TSHRPSIP1 | |
| SCHEMBL7579071 | 0.82 | SMN1; SMN2 (0.39) | TDP1ALDH1A1TSHR | |
| SCHEMBL27427617 | 0.78 | ABCB1 (0.49) | TDP1ALDH1A1TSHR | |
| SCHEMBL27655579 | 0.78 | ABCB1 (0.49) | TDP1ALDH1A1TSHR | |
| SCHEMBL9616838 | 0.78 | ABCB1 (0.49) | TDP1ALDH1A1TSHR | |
| SCHEMBL576704 | 0.77 | PSIP1 (0.41) | TDP1ALDH1A1PSIP1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0929217-B1 | SORDARIN DERIVATIVES | MERCK & CO INC (US) | 2004-03-03 | — | — | EP | disclosed |
| EP-1007032-B1 | 4-CYANO-4-DEFORMYLSORDARICIN DERIVATIVES | MERCK & CO INC (US) | 2003-04-23 | — | — | EP | disclosed |
| EP-1007032-A4 | 4-CYANO-4-DEFORMYLSORDARICIN DERIVATIVES | MERCK & CO INC (US) | 2002-03-27 | — | — | EP | disclosed |
| US-6136853-A | FUNGICIDE; ANTIBIOTIC | MERCK & CO., INC. (US) | 2000-10-24 | — | — | US | disclosed |
| EP-1007032-A1 | 4-CYANO-4-DEFORMYLSORDARICIN DERIVATIVES | Merck & Co., Inc. (US) | 2000-06-14 | — | — | EP | disclosed |
| US-6040463-A | FUNGICIDE | MERCK & CO., INC. (US) | 2000-03-21 | — | — | US | disclosed |
| EP-0929217-A4 | SORDARIN DERIVATIVES | MERCK & CO INC (US) | 1999-12-15 | — | — | EP | disclosed |
| US-5965612-A | 4-cyano-4-deformylsordaricin derivatives | MERCK & CO., INC. (US) | 1999-10-12 | — | — | US | disclosed |
| EP-0929217-A1 | SORDARIN DERIVATIVES | Merck & Co., Inc. (US) | 1999-07-21 | — | — | EP | disclosed |
| WO-1999009975-A1 | 4-CYANO-4-DEFORMYLSORDARICIN DERIVATIVES | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |
| WO-1998015178-A1 | SORDARIN DERIVATIVES | MERCK & CO., INC. (US) | 1998-04-16 | — | — | WO | disclosed |