Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21052511 | 0.86 | PTPN11 (0.44) | PTPN11CA12CA1CA2CA7 | |
| SCHEMBL6872253 | 0.84 | CA12 (0.54) | PTPN11CA12CA1CA2CA7 | |
| SCHEMBL9081505 | 0.84 | PTPN11 (0.39) | PTPN11CA12CA1CA2CA7 | |
| SCHEMBL8180164 | 0.84 | GABRA1 (0.41) | PTPN11CA12CA1CA2CA7 | |
| SCHEMBL6233690 | 0.83 | HNF4A (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2335866 | 0.82 | ABL1 (0.42) | PTPN11CA12CA1CA2CA7 | |
| SCHEMBL28568675 | 0.81 | GABRA1 (0.44) | PTPN11CA12CA1CA2CA7 | |
| SCHEMBL8058019 | 0.81 | PTPN11 (0.58) | PTPN11CA12CA1CA2CA7 | |
| SCHEMBL1785873 | 0.79 | MEN1 (0.45) | PTPN11GABRA1GABRA5GABRG2GABRB3 | |
| SCHEMBL3653817 | 0.79 | MEN1 (0.42) | PTPN11GABRA1GABRA5GABRG2GABRB3 |
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-6403705-B1 | POLYPHENYENEVINYLENES FUNCTIONALIZED BY GROUPS WITH A VERY STRONG AFFINITY FOR BIOLOGICAL MACROMOLECULES; SPIRAL CRYSTALLIZATION | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2002-06-11 | — | — | US | disclosed |