Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.44 |
| ▸ | CA1 | P00915 | 9/20 | 0.44 |
| ▸ | CA9 | Q16790 | 8/20 | 0.44 |
| ▸ | CA5A | P35218 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 7/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | ERN1 | O75460 | 2/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8578718 | 0.85 | L3MBTL1 (0.34) | CA2CA1CA9CA5AERN1 | |
| SCHEMBL8576255 | 0.83 | CA12 (0.44) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL8573646 | 0.82 | CA2 (0.48) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL8583043 | 0.82 | CA2 (0.48) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL8608328 | 0.75 | CA2 (0.44) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL8574760 | 0.75 | CDK1 (0.39) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL8582974 | 0.72 | CDK1 (0.38) | CA2CA1CA9CA5ACDK1 | |
| SCHEMBL8577507 | 0.72 | CA2 (0.49) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL8574456 | 0.72 | GSTO1 (0.40) | CA2CA1CA9CA5ACDK1 | |
| SCHEMBL8573180 | 0.71 | HTT (0.40) | CA2CA1CA9CA5ACA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-5849796-A | Ortho-substituted benzoil acid derivatives | MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-12-15 | — | — | US | disclosed |