Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.34 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18781745 | 0.81 | CASP3 (0.41) | CYP1A2ALDH1A1MAPTKDM4EALOX5 | |
| SCHEMBL7968633 | 0.81 | CASP3 (0.41) | CYP1A2ALDH1A1MAPTKDM4EALOX5 | |
| SCHEMBL16510450 | 0.79 | CYP1A2 (0.47) | CYP1A2ALDH1A1CYP3A4NPSR1 | |
| SCHEMBL19015891 | 0.78 | NPY5R (0.41) | ALDH1A1KDM4ECYSLTR1HSD17B10NPSR1 | |
| SCHEMBL13471210 | 0.76 | KDM4C (0.61) | CYP1A2ALDH1A1MAPTKDM4EGAA | |
| Trifluoroacetic Acid SCHEMBL16498071 | 0.76 | ALDH1A1 (0.44) | CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL27484851 | 0.74 | CYP1A2 (0.51) | CYP1A2ALDH1A1MAPTSIRT2GAA | |
| SCHEMBL6496060 | 0.74 | CYP1A2 (0.51) | CYP1A2ALDH1A1MAPTSIRT2GAA | |
| Hydrochloric Acid SCHEMBL6496049 | 0.73 | CYP1A2 (0.50) | CYP1A2ALDH1A1MAPTSIRT2GAA | |
| Hydrochloric Acid SCHEMBL6496063 | 0.73 | CYP1A2 (0.50) | CYP1A2ALDH1A1MAPTSIRT2GAA |
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 |