Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.53 |
| ▸ | CA9 | Q16790 | 5/20 | 0.53 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | DAO | P14920 | 3/20 | 0.37 |
| ▸ | DDO | Q99489 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25003020 | 1.00 | CA12 (0.53) | CA12CA9DRD2DRD4DRD3 | |
| SCHEMBL705402 | 0.79 | CA12 (0.62) | CA12CA9DAOCA1CA3 | |
| SCHEMBL3784446 | 0.78 | CA12 (0.55) | CA12CA9CA1CA3CA4 | |
| SCHEMBL3430465 | 0.78 | CA12 (0.60) | CA12CA9DRD2DRD4DRD3 | |
| SCHEMBL28736430 | 0.76 | CA12 (0.44) | CA12CA9DRD2DRD4DRD3 | |
| SCHEMBL4573974 | 0.76 | CA12 (0.58) | CA12CA9DRD2DRD4DRD3 | |
| SCHEMBL31355065 | 0.76 | CA12 (0.49) | CA12CA9CA1CA3CA4 | |
| SCHEMBL12472033 | 0.74 | CA9 (0.47) | CA12CA9DRD2DRD4DRD3 | |
| SCHEMBL29385308 | 0.73 | CA12 (0.60) | CA12CA9DRD2DRD4DRD3 | |
| SCHEMBL470073 | 0.73 | CA12 (0.60) | CA12CA9DRD2DRD4DRD3 |
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-117769545-A | Tri-fused ring derivative-containing regulator, preparation method and application thereof | 上海枢境生物科技有限公司 | 2024-03-26 | — | — | CN | disclosed |