Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 4/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6280828 | 0.88 | IDH1 (0.35) | EPHX1RECQLCCR2LMNAMAPT | |
| SCHEMBL6280822 | 0.88 | IDH1 (0.35) | EPHX1RECQLCCR2LMNAMAPT | |
| SCHEMBL6245831 | 0.86 | MAPT (0.35) | NQO2PTPN5AKR1C3ALDH1A1LMNA | |
| SCHEMBL6247880 | 0.86 | RECQL (0.43) | RECQLALDH1A1LMNAMAPT | |
| SCHEMBL6246748 | 0.83 | GRK2 (0.40) | RECQLALDH1A1LMNAMAPT | |
| SCHEMBL6246353 | 0.83 | RORC (0.40) | RECQL | |
| SCHEMBL6246114 | 0.82 | ALDH1A1 (0.48) | NPSR1NR1H4ALDH1A1LMNAMAPT | |
| SCHEMBL6248097 | 0.80 | PTGS1 (0.44) | RECQLNQO2NPSR1AKR1C3AKR1C2 | |
| SCHEMBL6265380 | 0.80 | LMNA (0.41) | ALDH1A1LMNAMAPT | |
| SCHEMBL6246207 | 0.80 | LMNA (0.34) | RECQLPPARGALDH1A1LMNA |
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-2005037196-A2 | SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS | CYTOVIA, INC. (US) | 2005-04-28 | — | — | WO | claimed |