Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7706827 | 0.87 | CA1 (0.50) | CA12CA1CA9HSP90AA1HSP90AB1 | |
| SCHEMBL9987966 | 0.84 | GPBAR1 (0.46) | CA12CA1CA9HSP90AA1HSP90AB1 | |
| SCHEMBL9987844 | 0.84 | CA12 (0.38) | CA12CA1CA9HSP90AA1HSP90AB1 | |
| SCHEMBL9987962 | 0.84 | GPBAR1 (0.46) | CA12CA1CA9HSP90AA1HSP90AB1 | |
| SCHEMBL3182564 | 0.82 | CA12 (0.46) | CA12CA1CA9HSP90AA1HSP90AB1 | |
| SCHEMBL12960635 | 0.82 | PREP (0.44) | CA12CA1CA9ALDH1A1KMT2A | |
| SCHEMBL9987207 | 0.82 | CA12 (0.37) | CA12CA1CA9HSP90AA1HSP90AB1 | |
| SCHEMBL9987206 | 0.82 | CA12 (0.37) | CA12CA1CA9HSP90AA1HSP90AB1 | |
| SCHEMBL5292779 | 0.80 | ACHE (0.45) | CA12CA1CA9ALDH1A1SMN1; SMN2 | |
| SCHEMBL15242469 | 0.79 | CA1 (0.42) | CA12CA1CA9HSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011158149-A1 | 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES | PFIZER INC. (US) | 2011-12-22 | — | — | WO | disclosed |