Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 6/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23210311 | 0.95 | LMNA (0.44) | KEAP1NFE2L2LMNACYP1A2CYP2C9 | |
| SCHEMBL23212912 | 0.93 | KEAP1 (0.42) | KEAP1NFE2L2LMNACYP1A2CYP2C9 | |
| SCHEMBL23213167 | 0.90 | KEAP1 (0.43) | KEAP1NFE2L2LMNACYP1A2CYP2C9 | |
| SCHEMBL23210226 | 0.88 | LMNA (0.44) | KEAP1NFE2L2LMNACYP1A2CYP2C9 | |
| SCHEMBL23209991 | 0.85 | LMNA (0.48) | KEAP1NFE2L2LMNACYP1A2CYP2C9 | |
| SCHEMBL23213491 | 0.84 | LMNA (0.42) | KEAP1NFE2L2LMNACYP1A2CYP2C9 | |
| SCHEMBL29619704 | 0.82 | SLC6A9 (0.45) | LMNAMAPTFFAR4MRGPRX4AKR1C3 | |
| SCHEMBL23210176 | 0.82 | SLC6A9 (0.45) | LMNAMAPTFFAR4MRGPRX4AKR1C3 | |
| SCHEMBL23213273 | 0.81 | KDM1A (0.40) | KEAP1NFE2L2LMNACYP1A2CYP2C9 | |
| SCHEMBL23212923 | 0.80 | PSEN1 (0.38) | LMNAMAPTALDH1A1 |
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-2021070091-A1 | 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS | NOVARTIS AG (CH) | 2021-04-15 | — | — | WO | disclosed |
| WO-2021070090-A1 | 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS | NOVARTIS AG (CH) | 2021-04-15 | — | — | WO | disclosed |