Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 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 | |
|---|---|---|---|---|
| SCHEMBL25312871 | 1.00 | SMN1; SMN2 (0.37) | SMN1; SMN2TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25908388 | 0.88 | CYP3A4 (0.37) | SMN1; SMN2TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25906451 | 0.88 | SMN1; SMN2 (0.41) | SMN1; SMN2TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25901495 | 0.85 | CYP3A4 (0.47) | SMN1; SMN2TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25313691 | 0.84 | CYP3A4 (0.41) | TAAR1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL25313698 | 0.84 | CYP3A4 (0.41) | TAAR1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL25313969 | 0.82 | CYP3A4 (0.39) | TAAR1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL25313171 | 0.82 | FAAH (0.41) | TAAR1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL25313973 | 0.82 | CYP3A4 (0.39) | TAAR1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL25311529 | 0.82 | TAAR1 (0.47) | SMN1; SMN2TAAR1SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023137446-A1 | PRODRUGS OF 3,4-METHYLENEDIOXY- N-ETHYL-AMPHETAMINE (MDEA) AND USES THEREOF | TERRAN BIOSCIENCES INC. (US) | 2023-07-20 | — | — | WO | disclosed |
| WO-2023137446-A1 | PRODRUGS OF 3,4-METHYLENEDIOXY- N-ETHYL-AMPHETAMINE (MDEA) AND USES THEREOF | TERRAN BIOSCIENCES INC. (US) | 2023-07-20 | — | — | WO | disclosed |