Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.68 |
| ▸ | MGLL | Q99685 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ELANE | P08246 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29720556 | 0.93 | FAAH (0.61) | FAAHMGLLCYP3A4ACHEELANE | |
| SCHEMBL28723695 | 0.91 | ACHE (0.61) | FAAHMGLLCYP3A4ACHEELANE | |
| SCHEMBL8754823 | 0.89 | CYP3A4 (0.71) | FAAHMGLLCYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL2209404 | 0.86 | FAAH (0.64) | FAAHMGLLCYP3A4HDAC3HDAC1 | |
| SCHEMBL2208695 | 0.86 | FAAH (0.64) | FAAHMGLLCYP3A4HDAC3HDAC1 | |
| SCHEMBL2206712 | 0.85 | FAAH (0.62) | FAAHMGLLCYP3A4HDAC3HDAC1 | |
| SCHEMBL5167970 | 0.84 | CYP3A4 (0.75) | FAAHMGLLCYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL29374812 | 0.82 | FAAH (0.61) | FAAHMGLLCYP3A4HDAC3HDAC1 | |
| SCHEMBL12414100 | 0.82 | FAAH (0.61) | FAAHMGLLCYP3A4HDAC3HDAC1 | |
| SCHEMBL21625280 | 0.81 | MGLL (1.00) | FAAHMGLLCYP3A4HDAC3HDAC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |