Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP13 | P45452 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | FKBP1A | P62942 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23213271 | 0.95 | CFTR (0.40) | CFTRHTR6ALDH1A1MMP2MMP13 | |
| SCHEMBL23295192 | 0.80 | OPRL1 (0.35) | ALDH1A1 | |
| SCHEMBL23212930 | 0.79 | ALDH1A1 (0.36) | ALDH1A1LMNAGAACA12CA1 | |
| SCHEMBL23212936 | 0.74 | RORC (0.35) | ALDH1A1LMNAGAAHTT | |
| SCHEMBL23210214 | 0.72 | VDR (0.38) | ALDH1A1LMNAGAAHTTCA12 | |
| SCHEMBL23212923 | 0.71 | PSEN1 (0.38) | ALDH1A1LMNAHTTCA12CA1 | |
| SCHEMBL3940918 | 0.69 | STAT3 (0.40) | ALDH1A1GAACA12CA1CA9 | |
| SCHEMBL3949269 | 0.69 | STAT3 (0.40) | ALDH1A1GAACA12CA1CA9 | |
| SCHEMBL3940922 | 0.69 | STAT3 (0.40) | ALDH1A1GAACA12CA1CA9 | |
| SCHEMBL7840144 | 0.69 | ALDH1A1 (0.43) | ALDH1A1LMNAGAAHTTCA12 |
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 1 patent. 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 |