Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 5/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | FSHR | P23945 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | ATAD2 | Q6PL18 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2082291 | 0.82 | NR1H2 (0.37) | NR1H2ESR1ESR2HSD17B3GAA | |
| SCHEMBL7657931 | 0.81 | DPP7 (0.41) | PDK2NAMPTMEN1LMNAMAPT | |
| SCHEMBL5913288 | 0.75 | ESR1 (0.54) | NR1H2ESR1ESR2HSD17B3HDAC8 | |
| SCHEMBL29986831 | 0.75 | ESR1 (0.54) | NR1H2ESR1ESR2HSD17B3HDAC8 | |
| SCHEMBL20558469 | 0.73 | ESR1 (0.40) | NR1H2ESR1ESR2HSD17B3FSHR | |
| SCHEMBL29805962 | 0.73 | ESR1 (0.40) | NR1H2ESR1ESR2HSD17B3FSHR | |
| SCHEMBL20558432 | 0.73 | GAA (0.32) | NR1H2ESR1ESR2FSHRGAA | |
| SCHEMBL7655450 | 0.72 | ESR1 (0.42) | NR1H2ESR1ESR2HSD17B3HDAC8 | |
| SCHEMBL7656239 | 0.71 | NR1H2 (0.35) | NR1H2HSD17B3PDK2GAAMEN1 | |
| SCHEMBL1641841 | 0.70 | ESR1 (0.72) | NR1H2ESR1ESR2HDAC8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |