Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | CA5A | P35218 | 4/20 | 0.46 |
| ▸ | CFTR | P13569 | 3/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 3/20 | 0.35 |
| ▸ | CA4 | P22748 | 3/20 | 0.35 |
| ▸ | CA6 | P23280 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8574707 | 0.89 | CA2 (0.48) | CA2CA1CA9CA5ACFTR | |
| SCHEMBL8571663 | 0.88 | NR1H2 (0.37) | CA2CA1CA9CA5ACFTR | |
| SCHEMBL8584048 | 0.86 | CA2 (0.46) | CA2CA1CA9CA5ACFTR | |
| SCHEMBL8573451 | 0.85 | CA1 (0.49) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL8576381 | 0.84 | CA12 (0.46) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL8574378 | 0.84 | GSTO1 (0.36) | CFTRSOS1KCNH2GAA | |
| SCHEMBL8608768 | 0.79 | CA2 (0.42) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL11251936 | 0.79 | CA2 (0.51) | CA2CA1CA9CA5ACFTR | |
| SCHEMBL8577507 | 0.76 | CA2 (0.49) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL8572708 | 0.76 | CA2 (0.49) | 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 |