Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | F2RL3 | Q96RI0 | 3/20 | 0.38 |
| ▸ | MARS1 | P56192 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.36 |
| ▸ | SLC16A1 | P53985 | 2/20 | 0.36 |
| ▸ | MCTS1 | Q9ULC4 | 2/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 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 | |
|---|---|---|---|---|
| SCHEMBL5318939 | 1.00 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL5348946 | 0.92 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL5348942 | 0.92 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL5317032 | 0.91 | ENPP2 (0.40) | CYP2D6CYP2C9ENPP2F2RL3MARS1 | |
| SCHEMBL5317033 | 0.91 | ENPP2 (0.40) | CYP2D6CYP2C9ENPP2F2RL3MARS1 | |
| SCHEMBL5359991 | 0.91 | NPSR1 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL5359999 | 0.91 | NPSR1 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL5317489 | 0.90 | ENPP2 (0.38) | CYP1A2CYP2D6CYP2C9ENPP2F2RL3 | |
| SCHEMBL5317486 | 0.90 | ENPP2 (0.38) | CYP1A2CYP2D6CYP2C9ENPP2F2RL3 | |
| SCHEMBL4093247 | 0.88 | CYP2C9 (0.45) | 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 3 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 |
| EP-2502624-A1 | Lonidamine analogues and their use in male contraception and cancer treatment | THE UNIVERSITY OF KANSAS (US) | 2012-09-26 | — | — | EP | disclosed |