Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 2/20 | 0.35 |
| ▸ | GLI1 | P08151 | 1/20 | 0.34 |
| ▸ | GLI2 | P10070 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | 1.00 | IDH1 (0.35) | IDH1GLI1GLI2TRPV1ESR1 | |
| SCHEMBL6248753 | 0.88 | EPHX1 (0.37) | CCR2RECQLEPHX1LMNAMAPT | |
| SCHEMBL6245831 | 0.78 | MAPT (0.35) | PTGS2LMNATP53MAPT | |
| SCHEMBL6247880 | 0.76 | RECQL (0.43) | RECQLLMNAMAPT | |
| SCHEMBL5142623 | 0.76 | IDH1 (0.52) | IDH1TRPV1ESR1LMNATP53 | |
| SCHEMBL5142626 | 0.76 | IDH1 (0.52) | IDH1TRPV1ESR1LMNATP53 | |
| SCHEMBL6246748 | 0.73 | GRK2 (0.40) | RECQLLMNAMAPT | |
| SCHEMBL6246353 | 0.73 | RORC (0.40) | IDH1RECQL | |
| SCHEMBL6246114 | 0.72 | ALDH1A1 (0.48) | LMNAMAPT | |
| SCHEMBL6248097 | 0.71 | PTGS1 (0.44) | RECQLLMNAMAPT |
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 | disclosed |