Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.38 |
| ▸ | HRH1 | P35367 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PER2 | O15055 | 6/20 | 0.33 |
| ▸ | CRY1 | Q16526 | 2/20 | 0.33 |
| ▸ | CRY2 | Q49AN0 | 2/20 | 0.33 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26675955 | 1.00 | NPC1 (0.39) | NPC1KCNH2HRH1CHRM1CYP3A4 | |
| SCHEMBL26920029 | 1.00 | NPC1 (0.39) | NPC1KCNH2HRH1CHRM1CYP3A4 | |
| SCHEMBL26675983 | 1.00 | NPC1 (0.39) | NPC1KCNH2HRH1CHRM1CYP3A4 | |
| SCHEMBL26675985 | 0.86 | NPC1 (0.40) | NPC1KCNH2HRH1CHRM1CYP3A4 | |
| SCHEMBL26675933 | 0.74 | SLC6A4 (0.36) | NPC1HRH1 | |
| SCHEMBL26675974 | 0.71 | NPC1 (0.39) | NPC1HRH1 | |
| SCHEMBL31414520 | 0.63 | NPC1 (0.48) | NPC1MEN1KMT2A | |
| SCHEMBL2674062 | 0.63 | — | — | |
| SCHEMBL26837322 | 0.63 | MEN1 (0.47) | KCNH2MEN1KMT2A | |
| SCHEMBL15196606 | 0.63 | TP53 (0.63) | NPC1KCNH2HRH1CHRM1CYP2D6 |
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 |