Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11061929 | 1.00 | DRD2 (0.47) | DRD2DRD3ESR1CA12CA1 | |
| SCHEMBL10626147 | 0.96 | DRD2 (0.44) | DRD2DRD3ESR1CA12CA1 | |
| SCHEMBL11064456 | 0.96 | DRD2 (0.46) | DRD2DRD3ESR1CA12CA1 | |
| SCHEMBL11064458 | 0.96 | DRD2 (0.46) | DRD2DRD3ESR1CA12CA1 | |
| SCHEMBL11068889 | 0.95 | DRD2 (0.45) | DRD2DRD3ESR1CA12CA1 | |
| SCHEMBL11061580 | 0.95 | DRD2 (0.45) | DRD2DRD3ESR1CA12CA1 | |
| SCHEMBL11061568 | 0.95 | DRD2 (0.45) | DRD2DRD3ESR1CA12CA1 | |
| SCHEMBL11068885 | 0.95 | DRD2 (0.45) | DRD2DRD3ESR1CA12CA1 | |
| SCHEMBL10623278 | 0.92 | DRD2 (0.43) | DRD2DRD3ESR1CA12CA1 | |
| SCHEMBL11061443 | 0.92 | RARB (0.47) | DRD2DRD3ESR1CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4439015-A | Disubstituted ethanes | HOFFMANN-LA ROCHE INC. (US) | 1984-03-27 | — | — | US | disclosed |