Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | PREP | P48147 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL22275369 | 1.00 | CA12 (0.36) | CA12CA1CA9PREPTSHR | |
| SCHEMBL29860065 | 0.79 | CA12 (0.36) | CA12CA1CA9PREPTSHR | |
| SCHEMBL26963167 | 0.79 | CA12 (0.36) | CA12CA1CA9PREPTSHR | |
| SCHEMBL20535821 | 0.78 | CA12 (0.39) | CA12CA1CA9PREP | |
| SCHEMBL17836741 | 0.77 | CA12 (0.46) | CA12CA1CA9PREP | |
| SCHEMBL14992681 | 0.77 | CA12 (0.46) | CA12CA1CA9PREPTSHR | |
| SCHEMBL30711797 | 0.76 | CA12 (0.32) | CA12CA1CA9PREP | |
| SCHEMBL23723314 | 0.75 | CA12 (0.42) | CA12CA1CA9PREP | |
| SCHEMBL19709408 | 0.75 | ALDH1A1 (0.43) | CA12CA1CA9 | |
| SCHEMBL1416957 | 0.75 | CA12 (0.42) | 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 |
|---|---|---|---|---|---|---|---|
| CN-112204036-B | Macrocyclic fused pyrazoles as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2022-12-27 | — | — | CN | disclosed |