Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 10/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 8/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7014209 | 1.00 | MIF (0.52) | MIFFFAR1FFAR4CYP1A1CYP1B1 | |
| SCHEMBL2397247 | 0.84 | FFAR1 (0.59) | FFAR1FFAR4 | |
| SCHEMBL30637597 | 0.84 | FFAR1 (0.59) | FFAR1FFAR4 | |
| SCHEMBL716629 | 0.84 | MIF (0.71) | MIFCYP1A1CYP1B1TDO2KDM4E | |
| SCHEMBL29407005 | 0.84 | MIF (0.71) | MIFCYP1A1CYP1B1TDO2KDM4E | |
| SCHEMBL716630 | 0.84 | MIF (0.71) | MIFCYP1A1CYP1B1TDO2KDM4E | |
| SCHEMBL1920415 | 0.84 | MIF (0.71) | MIFCYP1A1CYP1B1TDO2KDM4E | |
| Hydrochloric Acid SCHEMBL6822230 | 0.82 | MIF (0.69) | MIFCYP1A1CYP1B1TDO2KDM4E | |
| Hydrochloric Acid SCHEMBL30461911 | 0.82 | FFAR1 (0.58) | FFAR1FFAR4 | |
| SCHEMBL7021783 | 0.82 | TDO2 (0.45) | MIFFFAR1FFAR4TDO2EGFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1337517-A1 | PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002030911-A1 | PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-04-18 | — | — | WO | disclosed |