Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | PREP | P48147 | 3/20 | 0.36 |
| ▸ | APLNR | P35414 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL17923728 | 0.88 | CA12 (0.41) | CA12CA1CA9PREPAPLNR | |
| SCHEMBL22897809 | 0.80 | CYP2D6 (0.41) | CA12CA1CA9APLNRCYP1A2 | |
| SCHEMBL596046 | 0.77 | CA12 (0.42) | CA12CA1CA9PREPAPLNR | |
| SCHEMBL5736709 | 0.76 | CA12 (0.44) | CA12CA1CA9PREPAPLNR | |
| SCHEMBL31191673 | 0.76 | CA12 (0.35) | CA12CA1CA9PREP | |
| SCHEMBL2090369 | 0.75 | CA12 (0.49) | CA12CA1CA9PREP | |
| SCHEMBL3805134 | 0.75 | CA12 (0.40) | CA12CA1CA9PREPCYP1A2 | |
| SCHEMBL2023774 | 0.74 | CA12 (0.45) | CA12CA1CA9PREPCYP1A2 | |
| SCHEMBL6765739 | 0.74 | CA12 (0.47) | CA12CA1CA9PREP | |
| SCHEMBL9013589 | 0.74 | CA12 (0.47) | CA12CA1CA9PREP |
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-2024222864-A1 | MACROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF | Shanghai Yuyao Biotech Ltd. (CN) | 2024-10-31 | — | — | WO | disclosed |