Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 5/20 | 0.51 |
| ▸ | CA2 | P00918 | 5/20 | 0.51 |
| ▸ | CA12 | O43570 | 4/20 | 0.51 |
| ▸ | CA9 | Q16790 | 4/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL69268 | 0.85 | PTPN11 (0.69) | PTPN11CA1CA2CA12CA9 | |
| SCHEMBL13139895 | 0.84 | TDP1 (0.69) | PTPN11CA1CA2CA12CA9 | |
| SCHEMBL13139896 | 0.84 | TDP1 (0.69) | PTPN11CA1CA2CA12CA9 | |
| SCHEMBL7738900 | 0.84 | CA1 (0.69) | PTPN11CA1CA2CA12CA9 | |
| SCHEMBL7738912 | 0.84 | CA1 (0.69) | PTPN11CA1CA2CA12CA9 | |
| SCHEMBL7738852 | 0.83 | CA1 (0.70) | PTPN11CA1CA2CA12CA9 | |
| SCHEMBL7738854 | 0.83 | CA1 (0.70) | PTPN11CA1CA2CA12CA9 | |
| SCHEMBL6733118 | 0.82 | CYP1A1 (0.44) | PTPN11 | |
| SCHEMBL19387238 | 0.82 | CA1 (0.70) | CA1CA2CA12CA9CA14 | |
| Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 | 0.82 | CA1 (0.70) | CA1CA2CA12CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050101063-A1 | Three-terminal field-controlled molecular devices | TOUR JAMES M (US) | 2005-05-12 | — | — | US | disclosed |
| WO-2002035580-A2 | THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES | MOLECULAR ELECTRONICS CORPORATION (US) | 2002-05-02 | — | — | WO | disclosed |