Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.32 |
| ▸ | MOK | Q9UQ07 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 3/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.31 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5015634 | 0.92 | VSIR (0.40) | HDAC1CHEK1VSIRMOKATM | |
| SCHEMBL5017561 | 0.86 | BCHE (0.37) | HDAC1CHEK1KDM4EALDH1A1HPGD | |
| SCHEMBL5017494 | 0.85 | HDAC1 (0.32) | HDAC1KDM4EALDH1A1HPGDNR4A2 | |
| SCHEMBL5025766 | 0.81 | CYP4F2 (0.34) | KDM4EALDH1A1HPGD | |
| SCHEMBL5015644 | 0.80 | NR4A2 (0.48) | TBK1KDM4EALDH1A1NR4A2 | |
| SCHEMBL5025828 | 0.77 | POLB (0.38) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL5017781 | 0.76 | TRIM24 (0.37) | MAPTALDH1A1HPGDHSD17B10NR4A2 | |
| SCHEMBL4297838 | 0.74 | CHEK1 (0.56) | HDAC1BRAFCHEK1NR4A2 | |
| SCHEMBL5024275 | 0.73 | LIMK1 (0.41) | KDM4EALDH1A1HPGD | |
| SCHEMBL5017669 | 0.70 | CYP11B1 (0.43) | — |
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-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | claimed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | claimed |
| EP-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | disclosed |