Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOS | P01100 | 1/20 | 0.56 |
| ▸ | TTR | P02766 | 1/20 | 0.56 |
| ▸ | JUN | P05412 | 1/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.56 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.56 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | MMP1 | P03956 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LDHA | P00338 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL934654 | 0.85 | FOS (0.57) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL490769 | 0.85 | HSD17B2 (0.60) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL934471 | 0.84 | FOS (0.64) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL933400 | 0.82 | FOS (0.61) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL934179 | 0.82 | HSD17B2 (0.51) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL933477 | 0.82 | FOS (0.54) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL933495 | 0.81 | HSD17B2 (0.56) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL491190 | 0.81 | LDHA (0.76) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL168609 | 0.81 | FOS (0.63) | FOSTTRJUNNR3C1HSD17B1 | |
| SCHEMBL934658 | 0.80 | FOS (0.58) | FOSTTRJUNNR3C1HSD17B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006566-A2 | MONOMETHOXY-HYDROXY-BENZYLMALONATES | MERCK PATENT GMBH (DE) | 2011-01-20 | — | — | WO | claimed |
| WO-2011006566-A2 | MONOMETHOXY-HYDROXY-BENZYLMALONATES | MERCK PATENT GMBH (DE) | 2011-01-20 | — | — | WO | disclosed |