Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPRS1 | P07814 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | DHODH | Q02127 | 3/20 | 0.33 |
| ▸ | HNF4A | P41235 | 2/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | ACP1 | P24666 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL5024158 | 0.91 | TP53 (0.41) | LCKHSD17B10DHODHHNF4AACMSD | |
| SCHEMBL5017584 | 0.87 | NOS3 (0.35) | EPRS1LCKMCL1 | |
| SCHEMBL5025821 | 0.83 | NR4A2 (0.35) | CAPN1LCKHSD17B10CYP1A2 | |
| SCHEMBL5025819 | 0.82 | DHODH (0.46) | DHODH | |
| SCHEMBL5025837 | 0.80 | JAK2 (0.48) | — | |
| SCHEMBL5025775 | 0.79 | HSD17B1 (0.45) | POLBHSD17B10DHODHTP53CYP1A2 | |
| SCHEMBL5017045 | 0.76 | TP53 (0.44) | POLBHSD17B10DHODHTP53CYP1A2 | |
| SCHEMBL5015644 | 0.75 | NR4A2 (0.48) | CAPN1CTSLCTSB | |
| SCHEMBL5015640 | 0.75 | ERN1 (0.45) | — | |
| SCHEMBL5025828 | 0.69 | POLB (0.38) | POLBHSD17B10 |
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 |