Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC8A1 | P32418 | 9/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1933038 | 0.86 | ESR1 (0.55) | SLC8A1ESR1ESR2FFAR1ALDH1A1 | |
| SCHEMBL1934071 | 0.86 | ESR1 (0.55) | SLC8A1ESR1ESR2FFAR1ALDH1A1 | |
| SCHEMBL1933040 | 0.86 | ESR1 (0.55) | SLC8A1ESR1ESR2FFAR1ALDH1A1 | |
| SCHEMBL12556374 | 0.73 | ESR1 (0.55) | SLC8A1ESR1ESR2FFAR1ALDH1A1 | |
| SCHEMBL11050264 | 0.70 | ESR1 (0.55) | SLC8A1ESR1ESR2FFAR1 | |
| SCHEMBL1933740 | 0.70 | ESR1 (0.82) | ESR1ESR2FFAR1DRD2DRD1 | |
| SCHEMBL1932818 | 0.70 | ESR1 (0.82) | ESR1ESR2FFAR1DRD2DRD1 | |
| SCHEMBL1934690 | 0.70 | ESR1 (0.82) | ESR1ESR2FFAR1DRD2DRD1 | |
| Flavane SCHEMBL28117046 | 0.70 | ESR1 (0.48) | SLC8A1ESR1ESR2FFAR1 | |
| SCHEMBL27866924 | 0.70 | ESR1 (0.50) | SLC8A1ESR1ESR2FFAR1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2504339-A1 | BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS | Novartis AG (CH) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011064211-A1 | BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS | NOVARTIS AG (CH) | 2011-06-03 | — | — | WO | disclosed |