Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10927083 | 0.91 | LMNA (0.46) | CA2CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5755721 | 0.90 | AR (0.44) | CA1CA2CA9MEN1KMT2A | |
| SCHEMBL4190909 | 0.83 | CA1 (0.43) | CA1CA2CA9CYP1A2CYP2C9 | |
| SCHEMBL6913126 | 0.81 | MEN1 (0.39) | CA1CA2CA9CYP1A2CYP2C9 | |
| SCHEMBL6555615 | 0.81 | PSIP1 (0.39) | CA1CA2CA9CYP1A2CYP2C9 | |
| SCHEMBL6913132 | 0.80 | KMT2A (0.47) | CA1CA2CA9CYP1A2CYP2C9 | |
| SCHEMBL29033542 | 0.79 | HTR6 (0.37) | CA1CA2CA9CYP1A2ALDH1A1 | |
| SCHEMBL1571975 | 0.78 | TSHR (0.52) | CYP1A2CYP2C9CYP2C19ALDH1A1SLC1A3 | |
| SCHEMBL6914226 | 0.77 | HTR6 (0.39) | CA1CA2CA9ALDH1A1KMT2A | |
| SCHEMBL14778409 | 0.76 | HTR6 (0.46) | CA1CA2CA9ALDH1A1KMT2A |
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 6 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 |
| US-6136853-A | FUNGICIDE; ANTIBIOTIC | MERCK & CO., INC. (US) | 2000-10-24 | — | — | US | 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 |
| EP-0929217-A1 | SORDARIN DERIVATIVES | Merck & Co., Inc. (US) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998015178-A1 | SORDARIN DERIVATIVES | MERCK & CO., INC. (US) | 1998-04-16 | — | — | WO | disclosed |