Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 13/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5317956 | 0.91 | AKR1B1 (0.56) | AKR1B1CYP1A2CYP2C9PTGDR2SLC22A12 | |
| SCHEMBL1051660 | 0.90 | AKR1B1 (0.45) | AKR1B1PTGDR2PTGER4NR1H2NR1H3 | |
| SCHEMBL5322423 | 0.90 | AKR1B1 (0.57) | AKR1B1MEN1CYP1A2CYP2C9KMT2A | |
| SCHEMBL5319300 | 0.89 | AKR1B1 (0.45) | AKR1B1PTGDR2PTGER4NR1H2NR1H3 | |
| SCHEMBL5322124 | 0.89 | AKR1B1 (0.54) | AKR1B1PTGDR2SLC22A12 | |
| SCHEMBL5317815 | 0.88 | AKR1B1 (0.43) | AKR1B1PTGDR2PTGER4NR1H2NR1H3 | |
| SCHEMBL5321706 | 0.86 | AKR1B1 (0.49) | AKR1B1PTGDR2NR1H2NR1H3SLC22A12 | |
| SCHEMBL1047113 | 0.85 | AKR1B1 (0.42) | AKR1B1PTGDR2PTGER4NR1H2NR1H3 | |
| SCHEMBL4098478 | 0.85 | CYP1A2 (0.55) | AKR1B1CYP1A2CYP2C9PTGDR2PTGER4 | |
| SCHEMBL5267313 | 0.85 | NR1H2 (0.44) | AKR1B1CYP1A2CYP2C9PTGER4NR1H2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2502624-A1 | Lonidamine analogues and their use in male contraception and cancer treatment | THE UNIVERSITY OF KANSAS (US) | 2012-09-26 | — | — | EP | claimed |
| 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 |