Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 18/20 | 0.46 |
| ▸ | CA1 | P00915 | 17/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL9520371 | 0.94 | CA2 (0.45) | CA2CA1KIF11CA4CA5A | |
| SCHEMBL9304979 | 0.89 | CA1 (0.46) | CA2CA1CA4LMNAGAA | |
| SCHEMBL9303979 | 0.72 | CA2 (0.50) | CA2CA1KIF11CA4CA5A | |
| SCHEMBL9304085 | 0.70 | CA2 (0.43) | CA2CA1GAA | |
| SCHEMBL9695083 | 0.69 | ALDH1A1 (0.51) | LMNAGAA | |
| SCHEMBL8849931 | 0.65 | HSD11B1 (0.43) | CA2CA1 | |
| SCHEMBL9694727 | 0.63 | CA1 (0.37) | CA2CA1LMNA | |
| SCHEMBL776908 | 0.63 | HTR6 (0.42) | CA2CA1CA4CA5A | |
| SCHEMBL9271025 | 0.62 | CA1 (0.47) | CA2CA1 | |
| SCHEMBL9694594 | 0.62 | ALDH1A1 (0.50) | LMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0546113-A1 | NONLINEAR OPTICAL MATERIALS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-06-16 | — | — | EP | claimed |
| WO-1992003417-A2 | NONLINEAR OPTICAL MATERIALS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-03-05 | — | — | WO | claimed |