Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | GUCY1A1 | Q02108 | 5/20 | 0.38 |
| ▸ | GUCY1B1 | Q02153 | 5/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1046218 | 0.93 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL5317360 | 0.90 | PTGDR2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9GUCY1A1 | |
| SCHEMBL1049054 | 0.90 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL5320915 | 0.90 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL1044970 | 0.89 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL5318519 | 0.89 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL1048437 | 0.88 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL1050802 | 0.88 | PTGER1 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL5319096 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL1049647 | 0.87 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1786424-A2 | LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT | The University of Kansas (US) | 2007-05-23 | — | — | EP | claimed |
| WO-2006023704-A2 | LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT | UNIVERSITY OF KANSAS (US) | 2006-03-02 | — | — | WO | claimed |