Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 6/20 | 0.35 |
| ▸ | DRD1 | P21728 | 4/20 | 0.33 |
| ▸ | DRD5 | P21918 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL13405609 | 0.82 | NR1H2 (0.47) | NR1H2ESR2HSD17B3PDK2ESR1 | |
| SCHEMBL17797585 | 0.75 | NR1H2 (0.54) | NR1H2HSD17B3PDK2DRD1DRD2 | |
| SCHEMBL61143 | 0.72 | NR1H2 (0.90) | NR1H2ESR2HSD17B3ESR1HDAC8 | |
| SCHEMBL29377835 | 0.72 | NR1H2 (0.90) | NR1H2ESR2HSD17B3ESR1HDAC8 | |
| SCHEMBL2510116 | 0.72 | NR1H2 (0.53) | NR1H2ESR2HSD17B3PDK2DRD1 | |
| SCHEMBL17797706 | 0.71 | NR1H2 (0.44) | NR1H2HSD17B3PDK2HDAC8HDAC6 | |
| SCHEMBL25856118 | 0.71 | NR1H2 (0.49) | NR1H2HSD17B3PDK2DRD1DRD2 | |
| SCHEMBL218317 | 0.70 | MAOA (0.59) | NR1H2HSD17B3DRD1DRD5DRD2 | |
| SCHEMBL30561544 | 0.70 | MAOA (0.59) | NR1H2HSD17B3DRD1DRD5DRD2 | |
| SCHEMBL6962549 | 0.70 | HDAC6 (0.65) | NR1H2ESR2HSD17B3ESR1HDAC8 |
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-2675793-B1 | FAK INHIBITORS | CANCER THERAPEUTICS CRC PTY LTD (AU) | 2018-08-08 | — | — | EP | disclosed |