Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 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 | |
|---|---|---|---|---|
| SCHEMBL5318908 | 0.99 | NR1H2 (0.42) | NR1H2NR1H3AKR1B1PTGER4GRM2 | |
| SCHEMBL5320313 | 0.96 | NR1H2 (0.42) | NR1H2NR1H3AKR1B1PTGER4GRM2 | |
| SCHEMBL5267313 | 0.92 | NR1H2 (0.44) | NR1H2NR1H3AKR1B1PTGER4GRM2 | |
| SCHEMBL5317364 | 0.91 | NPSR1 (0.41) | NR1H2NR1H3AKR1B1CYP2C9SLC22A12 | |
| SCHEMBL5322190 | 0.90 | NPSR1 (0.41) | NR1H2NR1H3AKR1B1CYP2C9SLC22A12 | |
| SCHEMBL5316868 | 0.90 | KCNK3 (0.38) | NR1H2NR1H3AKR1B1PTGER4VNN1 | |
| SCHEMBL5317869 | 0.89 | AKR1B1 (0.37) | NR1H2NR1H3AKR1B1PTGER4CYP2C9 | |
| SCHEMBL5317824 | 0.89 | KCNK3 (0.39) | NR1H2NR1H3AKR1B1PTGER4VNN1 | |
| SCHEMBL5317649 | 0.88 | AKR1B1 (0.38) | NR1H2NR1H3AKR1B1PTGER4CYP2C9 | |
| SCHEMBL5317815 | 0.88 | AKR1B1 (0.43) | NR1H2NR1H3AKR1B1PTGER4VNN1 |
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 |