Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 4/20 | 0.35 |
| ▸ | HRH1 | P35367 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | DRD5 | P21918 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.30 |
| ▸ | HTR5A | P47898 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26675963 | 1.00 | HTR6 (0.35) | HTR6HRH1SLC6A4MAOAMAOB | |
| SCHEMBL26675974 | 0.87 | NPC1 (0.39) | HTR6HRH1SLC6A4NPC1 | |
| SCHEMBL26675933 | 0.81 | SLC6A4 (0.36) | HTR6HRH1SLC6A4MAOAMAOB | |
| SCHEMBL26837609 | 0.69 | MAOA (0.40) | MAOANPC1KDM4EHSD17B10 | |
| SCHEMBL26675985 | 0.67 | NPC1 (0.40) | HRH1NPC1 | |
| SCHEMBL26675959 | 0.65 | MAOA (0.45) | HTR6MAOAMAOBNPC1ESR1 | |
| SCHEMBL28840658 | 0.64 | GRIK2 (0.39) | MAOAMAOBNPC1GRIK1GRIK2 | |
| SCHEMBL25297650 | 0.61 | PTGER4 (0.40) | NPC1GRIK1GRIK2KDM4EHSD17B10 | |
| SCHEMBL25254239 | 0.60 | ADRB2 (0.43) | HTR6MAOBNPC1GRIK1GRIK2 | |
| SCHEMBL28841058 | 0.60 | HTR2C (0.51) | HTR6KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-4288048-A1 | OXA-IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | The Trustees Of Columbia University In The City Of New York (US) | 2023-12-13 | — | — | EP | disclosed |
| WO-2022170268-A1 | OXA-IBOGAINE INSPIRED ANALOGUES FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2022-08-11 | — | — | WO | disclosed |