Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CDC25A | P30304 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | USP1 | O94782 | 1/20 | 0.31 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11494431 | 0.84 | PPARA (0.35) | CA12CA1CA2CA9CDC25A | |
| SCHEMBL11490603 | 0.78 | CA12 (0.39) | CA12CA1CA2CA9CDC25A | |
| SCHEMBL10600302 | 0.78 | CA12 (0.39) | CA12CA1CA2CA9CDC25A | |
| SCHEMBL11487537 | 0.77 | GRIA4 (0.43) | — | |
| SCHEMBL5551237 | 0.73 | TSHR (0.55) | CA12CA1CA2CA9PPARA | |
| SCHEMBL11755443 | 0.72 | ALDH1A1 (0.40) | CA12CA1CA2CA9CDC25A | |
| SCHEMBL28751520 | 0.72 | CA12 (0.42) | CA12CA1CA2CA9CDC25A | |
| Ethane SCHEMBL5663955 | 0.72 | TSHR (0.53) | CA12CA1CA2CA9PPARA | |
| SCHEMBL11496104 | 0.72 | TAAR1 (0.52) | CA12CA1CA2CA9PPARA | |
| SCHEMBL11758615 | 0.72 | CYP2A6 (0.40) | CA12CA1CA2CA9CDC25A |
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 |
|---|---|---|---|---|---|---|---|
| US-4239759-A | Morpholino containing compounds, compositions and use thereof | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4110447-A | Anti-inflammatory (halo-4-biphenylyl)-alkanolamines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-08-29 | — | — | US | disclosed |