Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 14/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | IRAK1 | P51617 | 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 | |
|---|---|---|---|---|
| SCHEMBL9851973 | 1.00 | ALDH1A1 (0.39) | ALDH1A1PDK2IRAK4GABRA1GABRG2 | |
| SCHEMBL15727499 | 0.77 | IRAK4 (0.39) | PDK2IRAK4GABRA1GABRG2GABRB3 | |
| SCHEMBL21180014 | 0.77 | IRAK4 (0.39) | PDK2IRAK4GABRA1GABRG2GABRB3 | |
| SCHEMBL27987565 | 0.77 | IRAK4 (0.35) | PDK2IRAK4GABRA1GABRG2GABRB3 | |
| SCHEMBL8460670 | 0.77 | IRAK4 (0.35) | PDK2IRAK4GABRA1GABRG2GABRB3 | |
| SCHEMBL4551233 | 0.76 | — | — | |
| SCHEMBL1715768 | 0.74 | — | — | |
| SCHEMBL6201426 | 0.73 | FAAH (0.33) | — | |
| SCHEMBL20242005 | 0.73 | FAAH (0.33) | — | |
| SCHEMBL6201429 | 0.73 | FAAH (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0438311-A2 | Di- and tripeptide renin inhibitors | MERCK & CO. INC. (US) | 1991-07-24 | — | — | EP | disclosed |