Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.61 |
| ▸ | CA2 | P00918 | 5/20 | 0.61 |
| ▸ | CA9 | Q16790 | 5/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA3 | P07451 | 1/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CA6 | P23280 | 1/20 | 0.61 |
| ▸ | CA5A | P35218 | 1/20 | 0.61 |
| ▸ | CA7 | P43166 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.61 |
| ▸ | LPL | P06858 | 6/20 | 0.51 |
| ▸ | LIPG | Q9Y5X9 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12707453 | 0.92 | CA1 (0.64) | CA1CA2CA9CA12CA3 | |
| SCHEMBL24133598 | 0.87 | CA1 (0.69) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488760 | 0.83 | CA1 (0.57) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488838 | 0.82 | CA1 (0.59) | CA1CA2CA9CA12CA3 | |
| SCHEMBL23281878 | 0.80 | CA1 (0.57) | CA1CA2CA9CA12CA3 | |
| SCHEMBL15091838 | 0.80 | CA1 (0.43) | CA1CA2CA9CA12CA3 | |
| SCHEMBL15649561 | 0.79 | BRD4 (0.39) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488832 | 0.78 | CA1 (0.54) | CA1CA2CA9CA12CA3 | |
| SCHEMBL488897 | 0.78 | CA1 (0.54) | CA1CA2CA9CA12CA3 | |
| SCHEMBL1560571 | 0.78 | CA1 (0.61) | CA1CA2CA9CA12CA3 |
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-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |