Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 9/20 | 0.61 |
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | CA9 | Q16790 | 4/20 | 0.61 |
| ▸ | CA2 | P00918 | 7/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4236764 | 1.00 | CA12 (0.61) | CA12CA1CA9CA2DYRK1A | |
| SCHEMBL17874121 | 0.87 | CA12 (0.63) | CA12CA1CA9CA2HTR1B | |
| SCHEMBL17782352 | 0.84 | CA12 (0.46) | CA12CA1CA9CA2DYRK1A | |
| SCHEMBL16335521 | 0.82 | CA2 (0.47) | CA12CA1CA9CA2DYRK1A | |
| SCHEMBL3791641 | 0.77 | CA2 (0.46) | CA12CA2DYRK1ACDK9CHRNB4 | |
| SCHEMBL15733312 | 0.76 | CA9 (1.00) | CA12CA1CA9CYP2A6 | |
| SCHEMBL15733712 | 0.76 | CA12 (1.00) | CA12CA1CA9CYP2A6 | |
| SCHEMBL12017833 | 0.75 | CA1 (0.59) | CA12CA1CA9CA2CYP2A6 | |
| SCHEMBL826624 | 0.74 | CYP2A6 (0.55) | CA12CA1CA9CA2CHRNB4 | |
| SCHEMBL19783181 | 0.74 | CA12 (0.38) | CA12CA1CA9DYRK1ACDK9 |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |