Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | STAT6 | P42226 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28763700 | 0.79 | ALDH1A1 (0.53) | PTPN11ALDH1A1CYP3A4MAPK1TP53 | |
| SCHEMBL6373727 | 0.79 | CTSB (0.41) | PTPN11HSP90AA1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL6516643 | 0.78 | TDP1 (0.42) | PTPN11HSP90AA1CDK5CDK5R1ALDH1A1 | |
| SCHEMBL6509927 | 0.77 | PTPN11 (0.53) | PTPN11ALDH1A1CYP3A4CYP2C9TDP1 | |
| SCHEMBL6508821 | 0.76 | PTPN11 (0.45) | PTPN11ALDH1A1CYP3A4MAPK1TP53 | |
| SCHEMBL7264631 | 0.73 | S100A4 (0.44) | PTPN11ALDH1A1CYP3A4MAPK1TP53 | |
| SCHEMBL29595518 | 0.71 | HSD17B10 (0.48) | PTPN11ALDH1A1MAPK1HSD17B10TDP1 | |
| SCHEMBL562027 | 0.71 | HSD17B10 (0.48) | PTPN11ALDH1A1MAPK1HSD17B10TDP1 | |
| SCHEMBL28411146 | 0.70 | ALDH1A1 (0.47) | PTPN11ALDH1A1MAPK1HSD17B10TDP1 | |
| SCHEMBL17875621 | 0.69 | ALDH1A1 (0.58) | PTPN11ALDH1A1CYP3A4MAPK1HSD17B10 |
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 |