Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 5/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5318755 | 1.00 | RXRA (0.40) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL5321861 | 0.91 | ENPP2 (0.40) | ENPP2 | |
| SCHEMBL5321858 | 0.91 | ENPP2 (0.40) | ENPP2 | |
| SCHEMBL5317819 | 0.91 | ENPP2 (0.41) | NR1H2NR1H3PTGS2ENPP2PTGDR2 | |
| SCHEMBL5317823 | 0.91 | ENPP2 (0.41) | NR1H2NR1H3PTGS2ENPP2PTGDR2 | |
| SCHEMBL5319279 | 0.90 | RXRA (0.41) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL5319276 | 0.90 | RXRA (0.41) | RXRANR1H2NR1H3PTGS2PTGS1 | |
| SCHEMBL1050359 | 0.87 | PTGDR2 (0.39) | ENPP2KCNK3PTGDR2CYP1A2CYP3A4 | |
| SCHEMBL1050361 | 0.87 | PTGDR2 (0.39) | ENPP2KCNK3PTGDR2CYP1A2CYP3A4 | |
| SCHEMBL5321729 | 0.86 | ENPP2 (0.38) | ENPP2KCNK3PTGDR2CYP1A2CYP3A4 |
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 |