Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.38 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.30 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.30 |
| ▸ | NEK2 | P51955 | 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 | |
|---|---|---|---|---|
| SCHEMBL17374931 | 0.78 | CA2 (0.48) | CA2CA1CA9CA5ACA7 | |
| SCHEMBL1764709 | 0.74 | CA1 (0.57) | CA2CA1CA9CA5ACA7 | |
| SCHEMBL9464709 | 0.73 | CA2 (0.45) | CA2CA1CA9CA5ACA14 | |
| SCHEMBL17374951 | 0.69 | ALDH1A1 (0.54) | — | |
| SCHEMBL11692490 | 0.68 | CA2 (0.44) | CA2CA1CA9CA5AIKBKB | |
| SCHEMBL5213274 | 0.67 | ALDH1A1 (0.50) | CA2CA1CA9CA5AMET | |
| SCHEMBL31039581 | 0.66 | MET (0.45) | CA2CA1CA9CA5AMET | |
| SCHEMBL17375009 | 0.66 | BRPF1 (0.46) | CA2CA1METABL1 | |
| Hydrochloric Acid SCHEMBL27681462 | 0.66 | ALDH1A1 (0.49) | CA2CA1CA9CA5AMET | |
| SCHEMBL11137088 | 0.66 | CA2 (0.60) | CA2CA1CA9CA5ACA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015197028-A1 | COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-12-30 | — | — | WO | disclosed |