Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | PDE6D | O43924 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7249573 | 0.96 | PARP1 (0.39) | PARP1TDP1ACHEHRH3ADRA1D | |
| SCHEMBL7250342 | 0.95 | PARP1 (0.38) | PARP1CDK5CDK5R1TDP1CACNA1G | |
| SCHEMBL7253852 | 0.93 | GRIN1 (0.40) | — | |
| SCHEMBL7253855 | 0.93 | GRIN1 (0.40) | — | |
| SCHEMBL7248241 | 0.92 | ACHE (0.41) | ACHEHRH3 | |
| SCHEMBL7248243 | 0.92 | ACHE (0.41) | ACHEHRH3 | |
| SCHEMBL7251918 | 0.90 | HRH3 (0.42) | PARP1ACHEHRH3 | |
| SCHEMBL7252858 | 0.90 | HRH3 (0.44) | PARP1CDK5CDK5R1ACHEHRH3 | |
| SCHEMBL7255751 | 0.89 | SIGMAR1 (0.40) | ACHE | |
| SCHEMBL7255755 | 0.89 | SIGMAR1 (0.40) | ACHE |
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-6506751-B1 | The compounds are useful in the treatment and prevention of the AIDS virus. Intermediates useful in the preparation of the final products, pharmaceutical compositions containing the final products are also taught. invention is directed to | MILLENNIUM PHARMACEUTICALS, INC. | 2003-01-14 | — | — | US | claimed |