Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.31 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.31 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.31 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.31 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.31 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.31 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.31 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11490716 | 0.68 | CYP19A1 (0.35) | — | |
| SCHEMBL8562783 | 0.67 | — | — | |
| SCHEMBL19576455 | 0.64 | CYP19A1 (0.46) | — | |
| SCHEMBL5173586 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL11466313 | 0.63 | TSHR (0.52) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL11458416 | 0.63 | TSHR (0.52) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL11456971 | 0.63 | TSHR (0.52) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL11457769 | 0.63 | TSHR (0.52) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL11418737 | 0.63 | TSHR (0.52) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL18994259 | 0.62 | CYP19A1 (0.52) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4201717-A | 14β-Hydroxyandrostanes | HOFFMANN-LA ROCHE INC. (US) | 1980-05-06 | — | — | US | disclosed |
| US-4199530-A | 14β-Hydroxyandrostanes | HOFFMANN-LA ROCHE INC. (US) | 1980-04-22 | — | — | US | disclosed |
| US-4193878-A | 14β-Hydroxyandrostanes | HOFFMANN-LA ROCHE INC. (US) | 1980-03-18 | — | — | US | disclosed |
| US-4193940-A | 14 β-Hydroxyandrostanes | HOFFMANN-LA ROCHE INC. (US) | 1980-03-18 | — | — | US | disclosed |
| US-4134920-A | 14β-Hydroxyandrostanes | VALENTA ZDENEK | 1979-01-16 | — | — | US | disclosed |