Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 8/20 | 0.40 |
| ▸ | CASP7 | P55210 | 6/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | CASP9 | P55211 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PRNP | P04156 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19015819 | 0.83 | CASP3 (0.44) | CYP1A2CASP3CASP7CYSLTR1CASP1 | |
| SCHEMBL19015734 | 0.80 | CASP3 (0.54) | CASP3CASP7CASP1CASP9 | |
| SCHEMBL19385959 | 0.79 | CYP1A2 (0.56) | CYP1A2KDM4EALDH1A1PRNPMAPK10 | |
| SCHEMBL19385958 | 0.79 | CYP1A2 (0.56) | CYP1A2KDM4EALDH1A1PRNPMAPK10 | |
| SCHEMBL19015795 | 0.76 | CASP3 (0.73) | CASP3CASP7CASP1CASP9 | |
| SCHEMBL29678874 | 0.73 | PLG (0.43) | CYP1A2CASP1HDAC1HDAC2KDM4E | |
| SCHEMBL19015944 | 0.73 | CASP3 (0.64) | CASP3CASP7CASP1CASP9 | |
| SCHEMBL21467658 | 0.72 | CYP1A2 (0.49) | CYP1A2KDM4EALDH1A1 | |
| SCHEMBL13840609 | 0.72 | CYP1A2 (0.52) | CYP1A2CYSLTR1GPBAR1HDAC1HDAC2 | |
| SCHEMBL14640300 | 0.71 | CYP1A2 (0.60) | CYP1A2CYSLTR1GPBAR1KDM4EALDH1A1 |
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-2288615-B1 | SELECTIVE CASPASE INHIBITORS AND USES THEREOF | GENESIS TECH LTD (BB) | 2017-06-21 | — | — | EP | disclosed |