Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 2/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL490904 | 0.81 | PDPK1 (0.50) | CYP1A2CDK2XDHGDACDK1 | |
| SCHEMBL30523416 | 0.75 | CYP1A2 (0.65) | CYP1A2CDK2TSHRRECQLHIF1A | |
| SCHEMBL29959506 | 0.75 | XDH (0.45) | XDHMAPTADORA3CYP3A4CDK1 | |
| SCHEMBL7672747 | 0.75 | XDH (0.45) | XDHMAPTADORA3CYP3A4CDK1 | |
| SCHEMBL28878261 | 0.73 | XDH (0.47) | CYP1A2CDK2HIF1AXDHGDA | |
| SCHEMBL19281406 | 0.73 | CYP1A2 (0.46) | CYP1A2CDK2HIF1AXDHMAPT | |
| SCHEMBL30523393 | 0.73 | CYP1A2 (0.62) | CYP1A2CDK2TSHRRECQLHIF1A | |
| SCHEMBL10910405 | 0.72 | ALDH1A1 (0.45) | CYP1A2CDK2TSHRRECQLCDK1 | |
| SCHEMBL1029880 | 0.72 | XDH (0.45) | CYP1A2CDK2HIF1AXDHPDE4A | |
| SCHEMBL27678732 | 0.71 | PDPK1 (0.42) | CYP1A2CDK2GDACDK1MGMT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0993776-A1 | Composition for the treatment of cut tulip flowers | Instituut voor Agrotechnologisch Onderzoek (ATO-DLO) (NL) | 2000-04-19 | — | — | EP | disclosed |