Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 2/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL29843909 | 0.94 | CA12 (0.36) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL23210189 | 0.94 | CA12 (0.36) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL23212930 | 0.84 | ALDH1A1 (0.36) | ALDH1A1CA12CA1CA9STAT3 | |
| SCHEMBL23213647 | 0.80 | KEAP1 (0.42) | ALDH1A1MAPTLMNA | |
| SCHEMBL23212912 | 0.78 | KEAP1 (0.42) | ALDH1A1PAX8MAPTLMNA | |
| SCHEMBL23210214 | 0.78 | VDR (0.38) | ALDH1A1CA12CA1CA9STAT3 | |
| SCHEMBL23210191 | 0.77 | PSEN1 (0.36) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL29619707 | 0.77 | PSEN1 (0.36) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL25817320 | 0.76 | ALDH1A1 (0.39) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL23212936 | 0.75 | RORC (0.35) | ALDH1A1KMT2ABCHEACHEMEN1 |
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-2021070090-A1 | 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS | NOVARTIS AG (CH) | 2021-04-15 | — | — | WO | disclosed |
| WO-2021070091-A1 | 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS | NOVARTIS AG (CH) | 2021-04-15 | — | — | WO | disclosed |