Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.67 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.66 |
| ▸ | WNT3A | P56704 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | PKM | P14618 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL15969297 | 0.80 | CTNNB1 (1.00) | HPGDCTNNB1WNT3ALMNASMN1; SMN2 | |
| SCHEMBL1554690 | 0.77 | CTNNB1 (0.66) | HPGDCTNNB1WNT3ALMNASMN1; SMN2 | |
| SCHEMBL109197 | 0.76 | ALDH1A1 (0.64) | HPGDCTNNB1WNT3ALMNASMN1; SMN2 | |
| SCHEMBL7148530 | 0.75 | CYP3A4 (0.72) | HPGDLMNASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL25204678 | 0.75 | RAB9A (0.56) | HPGDLMNASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL25222929 | 0.74 | HSD17B10 (0.65) | HPGDCTNNB1WNT3ALMNASMN1; SMN2 | |
| SCHEMBL25227626 | 0.74 | CTNNB1 (0.67) | HPGDCTNNB1WNT3ALMNASMN1; SMN2 | |
| SCHEMBL29642680 | 0.74 | CYP3A4 (0.75) | HPGDSMN1; SMN2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL3944098 | 0.74 | CYP3A4 (0.75) | HPGDSMN1; SMN2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL138875 | 0.74 | CYP3A4 (0.75) | HPGDSMN1; SMN2ALDH1A1CYP3A4CYP1A2 |
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-4436964-A1 | ANALOGUES OF MDMA FOR MODULATING SERT, DAT, AND / OR NET ACTIVITY | The University Of Western Australia (AU) | 2024-10-02 | — | — | EP | disclosed |
| WO-2023092195-A1 | ANALOGUES OF MDMA FOR MODULATING SERT, DAT, AND / OR NET ACTIVITY | THE UNIVERSITY OF WESTERN AUSTRALIA (AU) | 2023-06-01 | — | — | WO | disclosed |
| WO-2023092195-A1 | ANALOGUES OF MDMA FOR MODULATING SERT, DAT, AND / OR NET ACTIVITY | THE UNIVERSITY OF WESTERN AUSTRALIA (AU) | 2023-06-01 | — | — | WO | disclosed |