Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | VDR | P11473 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23210214 | 0.94 | VDR (0.38) | ALDH1A1KMT2APOLBCYP24A1DHODH | |
| SCHEMBL23212923 | 0.84 | PSEN1 (0.38) | ALDH1A1KMT2ALMNACYP2D6STAT3 | |
| SCHEMBL23212936 | 0.81 | RORC (0.35) | ALDH1A1KMT2AVDRLMNAMAPK1 | |
| SCHEMBL23213256 | 0.79 | CFTR (0.37) | ALDH1A1CYP3A4LMNACYP2D6CA12 | |
| SCHEMBL29843909 | 0.77 | CA12 (0.36) | ALDH1A1KMT2AVDRCYP3A4MAPK1 | |
| SCHEMBL23210189 | 0.77 | CA12 (0.36) | ALDH1A1KMT2AVDRCYP3A4MAPK1 | |
| SCHEMBL2537530 | 0.76 | DHODH (0.40) | ALDH1A1KMT2APOLBDHODHVDR | |
| SCHEMBL7840144 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CYP24A1VDRCYP3A4LMNA | |
| SCHEMBL3940918 | 0.75 | STAT3 (0.40) | ALDH1A1KMT2APOLBCYP2D6STAT3 | |
| SCHEMBL3940922 | 0.75 | STAT3 (0.40) | ALDH1A1KMT2APOLBCYP2D6STAT3 |
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 |