Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12978511 | 0.82 | CHRM3 (0.34) | CA1CA2CA12CA7CA9 | |
| SCHEMBL16810704 | 0.81 | — | — | |
| SCHEMBL5114658 | 0.79 | CA12 (0.43) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27990184 | 0.78 | — | — | |
| SCHEMBL16195919 | 0.78 | HDAC2 (0.32) | TSHR | |
| SCHEMBL1328632 | 0.76 | — | — | |
| SCHEMBL4056562 | 0.74 | — | — | |
| SCHEMBL27209677 | 0.73 | TSHR (0.39) | CA1CA2CA12CA7CA9 | |
| SCHEMBL896075 | 0.71 | CHRM3 (0.39) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6414618 | 0.70 | TSHR (0.37) | CA1CA2CA12CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0539372-A1 | THERAPEUTIC AGENTS | The Boots Company PLC (GB) | 1993-05-05 | — | — | EP | disclosed |
| EP-0006735-A1 | Secondary amines, their preparation, pharmaceutical compositions containing them and their use | BEECHAM GROUP PLC (GB) | 1980-01-09 | — | — | EP | disclosed |