Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL3709828 | 0.80 | ESR1 (0.54) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL719456 | 0.80 | ESR1 (0.56) | ESR1ESR2CA12CA1CA2 | |
| Water SCHEMBL3709830 | 0.77 | ESR1 (0.57) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL4663870 | 0.77 | GRIN1 (0.48) | ESR1ESR2GRIN1GRIN2BABHD6 | |
| SCHEMBL25204719 | 0.70 | ESR1 (0.53) | ESR1ESR2PKMABHD6 | |
| SCHEMBL30411738 | 0.70 | ESR1 (0.53) | ESR1ESR2PKMABHD6 | |
| SCHEMBL25205929 | 0.70 | ESR1 (0.53) | ESR1ESR2PKMABHD6 | |
| SCHEMBL6395748 | 0.70 | ESR1 (0.37) | ESR1ESR2 | |
| SCHEMBL13561414 | 0.70 | ESR1 (0.37) | ESR1ESR2 | |
| SCHEMBL225186 | 0.70 | ESR1 (0.37) | ESR1ESR2 |
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-2010096384-A2 | FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | TARGACEPT, INC. (US) | 2010-08-26 | — | — | WO | disclosed |