Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 4/20 | 0.35 |
| ▸ | FDPS | P14324 | 10/20 | 0.33 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL16583719 | 0.77 | TP53 (0.43) | TP53CES1FDPSGGPS1CA1 | |
| SCHEMBL27508466 | 0.76 | PAOX (0.36) | — | |
| SCHEMBL808879 | 0.75 | ALDH1A1 (0.39) | FDPSGGPS1 | |
| Sulfuric Acid SCHEMBL28403209 | 0.74 | FDPS (0.45) | TP53FDPSGGPS1 | |
| SCHEMBL5872627 | 0.73 | FDPS (0.37) | FDPSGGPS1 | |
| Ammonia Solution, Strong SCHEMBL597182 | 0.73 | FDPS (0.37) | FDPSGGPS1 | |
| Phosphine SCHEMBL27893442 | 0.73 | FDPS (0.37) | FDPSGGPS1 | |
| SCHEMBL17148806 | 0.72 | FDPS (0.44) | CES1FDPSGGPS1 | |
| Sulfuric Acid SCHEMBL6200765 | 0.72 | TP53 (0.41) | TP53FDPSGGPS1CA1CA2 | |
| Sulfuric Acid SCHEMBL28902407 | 0.72 | TP53 (0.41) | TP53FDPSGGPS1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-62175434-A | — | — | None | — | — | JP | disclosed |
| JP-S62175434-A | PRODUCTION OF 4-METHYL-4-HYDROXY-1-OCTYNE COMPOUND | TEIJIN LTD | 1987-08-01 | — | — | JP | disclosed |