Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ABHD6 | Q9BV23 | 7/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 4/20 | 0.32 |
| ▸ | DRD3 | P35462 | 3/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL506152 | 0.87 | ESR1 (0.44) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL506888 | 0.86 | ESR1 (0.43) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL506487 | 0.86 | ESR1 (0.43) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL10227565 | 0.86 | ESR1 (0.46) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL506132 | 0.86 | ESR1 (0.46) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL507158 | 0.84 | ESR1 (0.44) | ESR1ESR2PKMABHD6ADORA1 | |
| SCHEMBL10227563 | 0.84 | ESR1 (0.44) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL506389 | 0.84 | ESR1 (0.42) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL506848 | 0.81 | ESR1 (0.42) | ESR1ESR2PKMABHD6DRD2 | |
| SCHEMBL506173 | 0.79 | DRD2 (0.45) | ESR1ESR2ABHD6DRD2DRD3 |
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-1924561-B1 | 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | LILLY CO ELI (US) | 2012-11-14 | — | — | EP | disclosed |