Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 11/20 | 0.73 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.67 |
| ▸ | TTR | P02766 | 4/20 | 0.58 |
| ▸ | DPP4 | P27487 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.57 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | GMNN | O75496 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | EGFR | P00533 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.57 |
| ▸ | LCK | P06239 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL19369630 | 1.00 | APP (0.73) | APPALOX5TTRDPP4CYP3A4 | |
| SCHEMBL19369632 | 1.00 | APP (0.73) | APPALOX5TTRDPP4CYP3A4 | |
| SCHEMBL19369629 | 1.00 | APP (0.73) | APPALOX5TTRDPP4CYP3A4 | |
| SCHEMBL28043642 | 0.89 | APP (0.89) | APPALOX5TTRDPP4CYP3A4 | |
| SCHEMBL19358989 | 0.83 | APP (1.00) | APPALOX5TTRDPP4CYP3A4 | |
| Hexylcaffeate SCHEMBL7943388 | 0.83 | APP (1.00) | APPALOX5TTRDPP4CYP3A4 | |
| SCHEMBL19359049 | 0.83 | APP (1.00) | APPALOX5TTRDPP4CYP3A4 | |
| Hexylcaffeate SCHEMBL19358999 | 0.83 | APP (1.00) | APPALOX5TTRDPP4CYP3A4 | |
| SCHEMBL15009234 | 0.83 | APP (1.00) | APPALOX5TTRDPP4CYP3A4 | |
| SCHEMBL17457140 | 0.83 | APP (1.00) | APPALOX5TTRDPP4CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017161093-A1 | CAFFEIC ACID DERIVATIVES AND USES THEREOF | MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) | 2017-09-21 | — | — | WO | disclosed |