Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL9942393 | 0.74 | TYR (0.37) | PDK1PDK2PDK3PDK4HSD17B10 | |
| SCHEMBL14478303 | 0.71 | HTR1A (0.51) | HSD17B10ESR1ALOX15ALOX12 | |
| SCHEMBL7289508 | 0.71 | ESRRB (0.40) | PDK1PDK2PDK3PDK4HSD17B10 | |
| SCHEMBL23387519 | 0.70 | HDAC8 (0.48) | MEN1KMT2AESR1HDAC8 | |
| SCHEMBL15105038 | 0.70 | HDAC8 (0.48) | MEN1KMT2AESR1HDAC8 | |
| SCHEMBL30036796 | 0.70 | HDAC8 (0.48) | MEN1KMT2AESR1HDAC8 | |
| SCHEMBL7633728 | 0.70 | HDAC8 (0.48) | MEN1KMT2AESR1HDAC8 | |
| SCHEMBL250027 | 0.69 | ESR1 (0.46) | PDK1PDK2PDK3PDK4HSD17B10 | |
| SCHEMBL21438489 | 0.68 | KLK5 (0.47) | ALOX12 | |
| SCHEMBL21438488 | 0.68 | KLK5 (0.47) | ALOX12 |
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-2007011290-A1 | Bronchorelaxing agents based on indol- and isoquinoline derivatives | RESPIRATORIUS AB (SE) | 2007-01-25 | — | — | WO | disclosed |