Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL4679449 | 0.80 | HSD11B1 (0.36) | — | |
| SCHEMBL9649135 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL19249294 | 0.76 | CA1 (0.31) | CA1CA2 | |
| SCHEMBL23781284 | 0.76 | PARP1 (0.34) | CA1CA2PARP1MAOB | |
| SCHEMBL1697644 | 0.75 | PARP1 (0.36) | CA1CA2PARP1HTR2AMAOB | |
| SCHEMBL5133900 | 0.72 | PARP1 (0.34) | CA1CA2PARP1MAOB | |
| SCHEMBL25680741 | 0.72 | MAOB (0.36) | CA1CA2PARP1HTR2AMAOB | |
| SCHEMBL13816705 | 0.72 | PARP1 (0.34) | CA1CA2PARP1MAOB | |
| SCHEMBL10339778 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL258234 | 0.71 | PARP1 (0.36) | CA1CA2PARP1MAOB |
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-5191133-A | PROCESS FOR PREPARATION OF 2-VINYLNAPHTHALENE | HOESCHT CELANESE CORPORATION (US) | 1993-03-02 | — | — | US | disclosed |