Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5523985 | 0.74 | CA1 (0.48) | CA1CA2CA9 | |
| SCHEMBL31080054 | 0.69 | CA1 (0.39) | CA1CA2CA9 | |
| SCHEMBL26842934 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL20612874 | 0.64 | ALDH1A1 (0.52) | — | |
| SCHEMBL25941241 | 0.64 | PTPN11 (0.39) | — | |
| SCHEMBL14318817 | 0.64 | CYP3A4 (0.65) | CA1CA2CA9 | |
| SCHEMBL19507345 | 0.64 | ERN1 (0.32) | — | |
| SCHEMBL23640799 | 0.63 | NOS2 (0.32) | — | |
| SCHEMBL3739331 | 0.63 | TPMT (0.39) | CA1CA2CA9 | |
| SCHEMBL15346310 | 0.62 | DPYD (0.30) | — |
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-7262297-B2 | Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2007-08-28 | — | — | US | disclosed |