Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.54 |
| ▸ | DRD1 | P21728 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL11460907 | 0.85 | ESR1 (0.48) | ESR1ESR2DRD1MAPK1HIF1A | |
| SCHEMBL11528134 | 0.82 | DRD1 (0.64) | DRD1MAPK1THPOHIF1AHSD17B10 | |
| Hydrochloric Acid SCHEMBL11470929 | 0.73 | DRD1 (0.48) | DRD1MAPK1THPOHIF1AHSD17B10 | |
| SCHEMBL11461917 | 0.72 | DRD1 (0.51) | ESR1ESR2DRD1MAPK1THPO | |
| SCHEMBL6716441 | 0.70 | ESR1 (1.00) | ESR1ESR2MAPK1KDM4ESMN1; SMN2 | |
| SCHEMBL11452364 | 0.69 | DRD1 (0.64) | DRD1MAPK1THPOHIF1AHSD17B10 | |
| Bromide SCHEMBL11452031 | 0.68 | DRD1 (0.65) | DRD1MAPK1THPOHIF1AHSD17B10 | |
| SCHEMBL11529303 | 0.67 | ESR1 (0.45) | ESR1ESR2DRD1MAPK1THPO | |
| SCHEMBL1094195 | 0.67 | GAA (0.43) | ESR1ESR2MAPK1MAPTMEN1 | |
| SCHEMBL1095022 | 0.67 | ESR1 (0.45) | ESR1ESR2DRD1THPOHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-4187314-A | DOPAMINERGIC ACTIVITY | SMITHKLINE CORPORATION (US) | 1980-02-05 | — | — | US | disclosed |
| US-4111957-A | DOPAMINERGIC | SMITHKLINE CORPORATION (US) | 1978-09-05 | — | — | US | disclosed |